4296-0578

5-cyano-4-(3,4-dimethoxyphenyl)-2-methyl-6-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide

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Source SMILES: standardizedunstandardized
Compound:
Screen ID SGTC_714
Screen concentration 26.1 μM
Source ChemDiv (Drug-like library)
PubChem CID 1589775
SMILES CC1=CC=CC=C1NC(=O)CSC2=NC(=C(C(=C2C#N)C3=CC(=C(C=C3)OC)OC)C(=O)NC4=CC=CC=C4)C
Standardized SMILES COc1ccc(cc1OC)c2c(C#N)c(SCC(=O)Nc3ccccc3C)nc(C)c2C(=O)Nc4ccccc4
Molecular weight 552.6434
ALogP 5.31
H-bond donor count 2
H-bond acceptor count 7
Response signature

Pool Growth Kinetics
% growth inhibition (Het. pool) 0.07
% growth inhibition (Hom. pool) -1.31


HIP profile

Heterozygous deletion strains
Scale: fixedexpanded
Heterozygous profile for 1589775
Download HIP data (tab-delimited text)  (excel)
Gene:CDC21(YOR074C)|FD-Score:3.64|P-value:1.38E-4|Clearance:0.6||SGD DESC:Thymidylate synthase, required for de novo biosynthesis of pyrimidine deoxyribonucleotides; expression is induced at G1/S Gene:ERG27(YLR100W)|FD-Score:-3.17|P-value:7.71E-4|Clearance:0||SGD DESC:3-keto sterol reductase, catalyzes the last of three steps required to remove two C-4 methyl groups from an intermediate in ergosterol biosynthesis; mutants are sterol auxotrophs Gene:YGR114C(YGR114C_d)|FD-Score:-3.31|P-value:4.75E-4|Clearance:0||SGD DESC:Dubious open reading frame unlikely to encode a protein, based on available experimental and comparative sequence data; open reading frame overlaps 5' end of the essential gene SPT6 Gene:CDC21(YOR074C)|FD-Score:3.64|P-value:1.38E-4|Clearance:0.6||SGD DESC:Thymidylate synthase, required for de novo biosynthesis of pyrimidine deoxyribonucleotides; expression is induced at G1/S Gene:ERG27(YLR100W)|FD-Score:-3.17|P-value:7.71E-4|Clearance:0||SGD DESC:3-keto sterol reductase, catalyzes the last of three steps required to remove two C-4 methyl groups from an intermediate in ergosterol biosynthesis; mutants are sterol auxotrophs Gene:YGR114C(YGR114C_d)|FD-Score:-3.31|P-value:4.75E-4|Clearance:0||SGD DESC:Dubious open reading frame unlikely to encode a protein, based on available experimental and comparative sequence data; open reading frame overlaps 5' end of the essential gene SPT6

HOP profile

Homozygous deletion strains
Scale: fixedexpanded
Homozygous profile for 1589775
Download HOP data (tab-delimited text)  (excel)
Gene:APL1(YJR005W)|FD-Score:-3.24|P-value:6.06E-4||SGD DESC:Beta-adaptin, large subunit of the clathrin associated protein complex (AP-2); involved in vesicle mediated transport; similar to mammalian beta-chain of the clathrin associated protein complex Gene:CBR1(YIL043C)|FD-Score:4.4|P-value:5.40E-6||SGD DESC:Microsomal cytochrome b reductase, not essential for viability; also detected in mitochondria; mutation in conserved NADH binding domain of the human ortholog results in type I methemoglobinemia Gene:DPH6(YLR143W_p)|FD-Score:3.22|P-value:6.37E-4||SGD DESC:Diphthamide synthetase; catalyzes the last amidation step of diphthamide biosynthesis using ammonium and ATP; evolutionarily conserved in eukaryotes; dph6 mutants exhibit diphthine accumulation and resistance to sordarin, which is indicative of defects in diphthamide formation on EF2; green fluorescent protein (GFP)-tagged protein localizes to the cytoplasm; DPH6/YLR143W is not an essential gene Gene:DUR1,2(YBR208C)|FD-Score:3.62|P-value:1.45E-4||SGD DESC:Urea amidolyase; contains both urea carboxylase and allophanate hydrolase activities, degrades urea to CO2 and NH3; expression sensitive to nitrogen catabolite repression and induced by allophanate, an intermediate in allantoin degradation; protein abundance increases in response to DNA replication stress Gene:ELP6(YMR312W)|FD-Score:-3.1|P-value:9.56E-4||SGD DESC:Subunit of hexameric RecA-like ATPase Elp456 Elongator subcomplex; which is required for modification of wobble nucleosides in tRNA; required for Elongator structural integrity Gene:ERG5(YMR015C)|FD-Score:-3.52|P-value:2.16E-4||SGD DESC:C-22 sterol desaturase, a cytochrome P450 enzyme that catalyzes the formation of the C-22(23) double bond in the sterol side chain in ergosterol biosynthesis; may be a target of azole antifungal drugs Gene:GAC1(YOR178C)|FD-Score:-3.88|P-value:5.17E-5||SGD DESC:Regulatory subunit for Glc7p type-1 protein phosphatase (PP1), tethers Glc7p to Gsy2p glycogen synthase, binds Hsf1p heat shock transcription factor, required for induction of some HSF-regulated genes under heat shock Gene:JJJ3(YJR097W)|FD-Score:3.12|P-value:9.15E-4||SGD DESC:Protein of unknown function, contains a CSL Zn finger and a DnaJ-domain; involved in diphthamide biosynthesis; ortholog human Dph4 Gene:KSS1(YGR040W)|FD-Score:3.19|P-value:7.08E-4||SGD DESC:Mitogen-activated protein kinase (MAPK) involved in signal transduction pathways that control filamentous growth and pheromone response; the KSS1 gene is nonfunctional in S288C strains and functional in W303 strains Gene:MET22(YOL064C)|FD-Score:-3.21|P-value:6.73E-4||SGD DESC:Bisphosphate-3'-nucleotidase, involved in salt tolerance and methionine biogenesis; dephosphorylates 3'-phosphoadenosine-5'-phosphate and 3'-phosphoadenosine-5'-phosphosulfate, intermediates of the sulfate assimilation pathway Gene:MSS11(YMR164C)|FD-Score:-3.82|P-value:6.66E-5||SGD DESC:Transcription factor involved in regulation of invasive growth and starch degradation; controls the activation of FLO11 and STA2 in response to nutritional signals Gene:NAT4(YMR069W)|FD-Score:3.14|P-value:8.38E-4||SGD DESC:N alpha-acetyl-transferase, involved in acetylation of the N-terminal residues of histones H4 and H2A Gene:RPL4A(YBR031W)|FD-Score:-3.31|P-value:4.69E-4||SGD DESC:Ribosomal 60S subunit protein L4A; N-terminally acetylated; homologous to mammalian ribosomal protein L4 and bacterial L4; RPL4A has a paralog, RPL4B, that arose from the whole genome duplication Gene:SRO77(YBL106C)|FD-Score:3.73|P-value:9.68E-5||SGD DESC:Protein with roles in exocytosis and cation homeostasis; functions in docking and fusion of post-Golgi vesicles with plasma membrane; homolog of Drosophila lethal giant larvae tumor suppressor; interacts with SNARE protein Sec9p; SRO77 has a paralog, SRO7, that arose from the whole genome duplication Gene:TOK1(YJL093C)|FD-Score:-3.66|P-value:1.25E-4||SGD DESC:Outward-rectifier potassium channel of the plasma membrane with two pore domains in tandem, each of which forms a functional channel permeable to potassium; carboxy tail functions to prevent inner gate closures; target of K1 toxin Gene:URA7(YBL039C)|FD-Score:3.36|P-value:3.94E-4||SGD DESC:Major CTP synthase isozyme (see also URA8); catalyzes the ATP-dependent transfer of the amide nitrogen from glutamine to UTP, forming CTP, the final step in de novo biosynthesis of pyrimidines; involved in phospholipid biosynthesis; capable of forming cytoplasmic filaments termed cytoophidium, especially during conditions of glucose depletion; URA7 has a paralog, URA8, that arose from the whole genome duplication Gene:XKS1(YGR194C)|FD-Score:3.42|P-value:3.07E-4||SGD DESC:Xylulokinase, converts D-xylulose and ATP to xylulose 5-phosphate and ADP; rate limiting step in fermentation of xylulose; required for xylose fermentation by recombinant S. cerevisiae strains Gene:YBR226C(YBR226C_d)|FD-Score:-3.15|P-value:8.05E-4||SGD DESC:Dubious open reading frame unlikely to encode a protein, based on available experimental and comparative sequence data; partially overlaps the uncharacterized ORF YBR225W Gene:YGL177W(YGL177W_d)|FD-Score:3.81|P-value:7.08E-5||SGD DESC:Dubious open reading frame unlikely to encode a functional protein, based on available experimental and comparative sequence data Gene:YGR011W(YGR011W_d)|FD-Score:3.38|P-value:3.63E-4||SGD DESC:Dubious open reading frame unlikely to encode a functional protein, based on available experimental and comparative sequence data Gene:YIL067C(YIL067C_p)|FD-Score:-3.5|P-value:2.33E-4||SGD DESC:Uncharacterized protein of unknown function Gene:YJL064W(YJL064W_d)|FD-Score:-3.88|P-value:5.23E-5||SGD DESC:Dubious open reading frame unlikely to encode a protein, based on available experimental and comparative sequence data; completely overlaps the verified gene YJL065C/DLS1 Gene:YLR232W(YLR232W_d)|FD-Score:-3.42|P-value:3.15E-4||SGD DESC:Dubious open reading frame unlikely to encode a protein, based on available experimental and comparative sequence data; partially overlaps the verified gene BNA5 Gene:YPK9(YOR291W)|FD-Score:-3.71|P-value:1.03E-4||SGD DESC:Vacuolar protein with a possible role in sequestering heavy metals; has similarity to the type V P-type ATPase Spf1p; homolog of human ATP13A2 (PARK9), mutations in which are associated with Parkinson disease and Kufor-Rakeb syndrome Gene:APL1(YJR005W)|FD-Score:-3.24|P-value:6.06E-4||SGD DESC:Beta-adaptin, large subunit of the clathrin associated protein complex (AP-2); involved in vesicle mediated transport; similar to mammalian beta-chain of the clathrin associated protein complex Gene:CBR1(YIL043C)|FD-Score:4.4|P-value:5.40E-6||SGD DESC:Microsomal cytochrome b reductase, not essential for viability; also detected in mitochondria; mutation in conserved NADH binding domain of the human ortholog results in type I methemoglobinemia Gene:DPH6(YLR143W_p)|FD-Score:3.22|P-value:6.37E-4||SGD DESC:Diphthamide synthetase; catalyzes the last amidation step of diphthamide biosynthesis using ammonium and ATP; evolutionarily conserved in eukaryotes; dph6 mutants exhibit diphthine accumulation and resistance to sordarin, which is indicative of defects in diphthamide formation on EF2; green fluorescent protein (GFP)-tagged protein localizes to the cytoplasm; DPH6/YLR143W is not an essential gene Gene:DUR1,2(YBR208C)|FD-Score:3.62|P-value:1.45E-4||SGD DESC:Urea amidolyase; contains both urea carboxylase and allophanate hydrolase activities, degrades urea to CO2 and NH3; expression sensitive to nitrogen catabolite repression and induced by allophanate, an intermediate in allantoin degradation; protein abundance increases in response to DNA replication stress Gene:ELP6(YMR312W)|FD-Score:-3.1|P-value:9.56E-4||SGD DESC:Subunit of hexameric RecA-like ATPase Elp456 Elongator subcomplex; which is required for modification of wobble nucleosides in tRNA; required for Elongator structural integrity Gene:ERG5(YMR015C)|FD-Score:-3.52|P-value:2.16E-4||SGD DESC:C-22 sterol desaturase, a cytochrome P450 enzyme that catalyzes the formation of the C-22(23) double bond in the sterol side chain in ergosterol biosynthesis; may be a target of azole antifungal drugs Gene:GAC1(YOR178C)|FD-Score:-3.88|P-value:5.17E-5||SGD DESC:Regulatory subunit for Glc7p type-1 protein phosphatase (PP1), tethers Glc7p to Gsy2p glycogen synthase, binds Hsf1p heat shock transcription factor, required for induction of some HSF-regulated genes under heat shock Gene:JJJ3(YJR097W)|FD-Score:3.12|P-value:9.15E-4||SGD DESC:Protein of unknown function, contains a CSL Zn finger and a DnaJ-domain; involved in diphthamide biosynthesis; ortholog human Dph4 Gene:KSS1(YGR040W)|FD-Score:3.19|P-value:7.08E-4||SGD DESC:Mitogen-activated protein kinase (MAPK) involved in signal transduction pathways that control filamentous growth and pheromone response; the KSS1 gene is nonfunctional in S288C strains and functional in W303 strains Gene:MET22(YOL064C)|FD-Score:-3.21|P-value:6.73E-4||SGD DESC:Bisphosphate-3'-nucleotidase, involved in salt tolerance and methionine biogenesis; dephosphorylates 3'-phosphoadenosine-5'-phosphate and 3'-phosphoadenosine-5'-phosphosulfate, intermediates of the sulfate assimilation pathway Gene:MSS11(YMR164C)|FD-Score:-3.82|P-value:6.66E-5||SGD DESC:Transcription factor involved in regulation of invasive growth and starch degradation; controls the activation of FLO11 and STA2 in response to nutritional signals Gene:NAT4(YMR069W)|FD-Score:3.14|P-value:8.38E-4||SGD DESC:N alpha-acetyl-transferase, involved in acetylation of the N-terminal residues of histones H4 and H2A Gene:RPL4A(YBR031W)|FD-Score:-3.31|P-value:4.69E-4||SGD DESC:Ribosomal 60S subunit protein L4A; N-terminally acetylated; homologous to mammalian ribosomal protein L4 and bacterial L4; RPL4A has a paralog, RPL4B, that arose from the whole genome duplication Gene:SRO77(YBL106C)|FD-Score:3.73|P-value:9.68E-5||SGD DESC:Protein with roles in exocytosis and cation homeostasis; functions in docking and fusion of post-Golgi vesicles with plasma membrane; homolog of Drosophila lethal giant larvae tumor suppressor; interacts with SNARE protein Sec9p; SRO77 has a paralog, SRO7, that arose from the whole genome duplication Gene:TOK1(YJL093C)|FD-Score:-3.66|P-value:1.25E-4||SGD DESC:Outward-rectifier potassium channel of the plasma membrane with two pore domains in tandem, each of which forms a functional channel permeable to potassium; carboxy tail functions to prevent inner gate closures; target of K1 toxin Gene:URA7(YBL039C)|FD-Score:3.36|P-value:3.94E-4||SGD DESC:Major CTP synthase isozyme (see also URA8); catalyzes the ATP-dependent transfer of the amide nitrogen from glutamine to UTP, forming CTP, the final step in de novo biosynthesis of pyrimidines; involved in phospholipid biosynthesis; capable of forming cytoplasmic filaments termed cytoophidium, especially during conditions of glucose depletion; URA7 has a paralog, URA8, that arose from the whole genome duplication Gene:XKS1(YGR194C)|FD-Score:3.42|P-value:3.07E-4||SGD DESC:Xylulokinase, converts D-xylulose and ATP to xylulose 5-phosphate and ADP; rate limiting step in fermentation of xylulose; required for xylose fermentation by recombinant S. cerevisiae strains Gene:YBR226C(YBR226C_d)|FD-Score:-3.15|P-value:8.05E-4||SGD DESC:Dubious open reading frame unlikely to encode a protein, based on available experimental and comparative sequence data; partially overlaps the uncharacterized ORF YBR225W Gene:YGL177W(YGL177W_d)|FD-Score:3.81|P-value:7.08E-5||SGD DESC:Dubious open reading frame unlikely to encode a functional protein, based on available experimental and comparative sequence data Gene:YGR011W(YGR011W_d)|FD-Score:3.38|P-value:3.63E-4||SGD DESC:Dubious open reading frame unlikely to encode a functional protein, based on available experimental and comparative sequence data Gene:YIL067C(YIL067C_p)|FD-Score:-3.5|P-value:2.33E-4||SGD DESC:Uncharacterized protein of unknown function Gene:YJL064W(YJL064W_d)|FD-Score:-3.88|P-value:5.23E-5||SGD DESC:Dubious open reading frame unlikely to encode a protein, based on available experimental and comparative sequence data; completely overlaps the verified gene YJL065C/DLS1 Gene:YLR232W(YLR232W_d)|FD-Score:-3.42|P-value:3.15E-4||SGD DESC:Dubious open reading frame unlikely to encode a protein, based on available experimental and comparative sequence data; partially overlaps the verified gene BNA5 Gene:YPK9(YOR291W)|FD-Score:-3.71|P-value:1.03E-4||SGD DESC:Vacuolar protein with a possible role in sequestering heavy metals; has similarity to the type V P-type ATPase Spf1p; homolog of human ATP13A2 (PARK9), mutations in which are associated with Parkinson disease and Kufor-Rakeb syndrome

Click on Significant Values for Strain Details

Top 15 HET fitness defect scores (HIP)

Download all HIP Data (tab-delimited text)  (excel)
Deletion Strain FD score P-value Clearance Gene Gene Description
YOR074C3.641.38E-40.60CDC21Thymidylate synthase, required for de novo biosynthesis of pyrimidine deoxyribonucleotides; expression is induced at G1/S
YMR005W3.040.001200.05TAF4TFIID subunit (48 kDa), involved in RNA polymerase II transcription initiation; potential Cdc28p substrate
YKL006C-A2.990.001410.12SFT1Intra-Golgi v-SNARE, required for transport of proteins between an early and a later Golgi compartment
YGR218W2.870.002080.12CRM1Major karyopherin, involved in export of proteins, RNAs, and ribosomal subunits from the nucleus; exportin
YGL069C_d2.740.003030.00YGL069C_dDubious open reading frame, unlikely to encode a protein; not conserved in closely related Saccharomyces species; 92% of ORF overlaps the uncharacterized ORF YGL068W; deletion in cyr1 mutant results in loss of stress resistance
YDL092W2.740.003050.02SRP14Signal recognition particle (SRP) subunit, interacts with the RNA component of SRP to form the Alu domain, which is the region of SRP responsible for arrest of nascent chain elongation during membrane targeting; homolog of mammalian SRP14
YMR131C2.720.003220.06RRB1Essential nuclear protein involved in early steps of ribosome biogenesis; physically interacts with the ribosomal protein Rpl3p
YDL196W_d2.670.003820.04YDL196W_dDubious open reading frame unlikely to encode a protein, based on available experimental and comparative sequence data; open reading frame is located in promoter region of essential gene SEC31
YGR046W2.620.004340.03TAM41Mitochondrial protein required for cardiolipin biosynthesis; viability of null mutant is strain-dependent; mRNA is targeted to the bud; mutant displays defect in mitochondrial protein import, likely due to altered membrane lipid composition
YKR037C2.590.004790.04SPC34Essential subunit of the Dam1 complex (aka DASH complex), couples kinetochores to the force produced by MT depolymerization thereby aiding in chromosome segregation; also localized to nuclear side of spindle pole body
YDR390C2.550.005440.02UBA2Subunit of a heterodimeric nuclear SUMO activating enzyme (E1) with Aos1p; activates Smt3p (SUMO) before its conjugation to proteins (sumoylation), which may play a role in protein targeting; essential for viability
YFR002W2.530.005760.00NIC96Linker nucleoporin component of the nuclear pore complex (NPC); also part of the NPC nuclear basket; contributes to nucleocytoplasmic transport and NPC biogenesis; forms stable associations with three FG-nucleoporins (Nsp1p, Nup57p, and Nup49p)
YDL084W2.520.005800.10SUB2Component of the TREX complex required for nuclear mRNA export; member of the DEAD-box RNA helicase superfamily and is involved in early and late steps of spliceosome assembly; homolog of the human splicing factor hUAP56; relocalizes from nucleus to cytoplasm upon DNA replication stress
YJR076C2.420.007710.00CDC11Component of the septin ring that is required for cytokinesis; septins are GTP-binding proteins that assemble into rod-like hetero-oligomers that can associate with other rods to form filaments; septin rings at the mother-bud neck act as scaffolds for recruiting cell division factors and as barriers to prevent diffusion of specific proteins between mother and daughter cells
YPR085C2.420.007740.04ASA1Subunit of the ASTRA complex, involved in chromatin remodeling; telomere length regulator involved in the stability or biogenesis of PIKKs such as TORC1

Top 15 HOM fitness defect scores (HOP)

Download all HOP Data (tab-delimited text)  (excel)
Deletion Strain FD score P-value Gene Gene Description
YIL043C4.405.40E-6CBR1Microsomal cytochrome b reductase, not essential for viability; also detected in mitochondria; mutation in conserved NADH binding domain of the human ortholog results in type I methemoglobinemia
YGL177W_d3.817.08E-5YGL177W_dDubious open reading frame unlikely to encode a functional protein, based on available experimental and comparative sequence data
YBL106C3.739.68E-5SRO77Protein with roles in exocytosis and cation homeostasis; functions in docking and fusion of post-Golgi vesicles with plasma membrane; homolog of Drosophila lethal giant larvae tumor suppressor; interacts with SNARE protein Sec9p; SRO77 has a paralog, SRO7, that arose from the whole genome duplication
YBR208C3.621.45E-4DUR1,2Urea amidolyase; contains both urea carboxylase and allophanate hydrolase activities, degrades urea to CO2 and NH3; expression sensitive to nitrogen catabolite repression and induced by allophanate, an intermediate in allantoin degradation; protein abundance increases in response to DNA replication stress
YGR194C3.423.07E-4XKS1Xylulokinase, converts D-xylulose and ATP to xylulose 5-phosphate and ADP; rate limiting step in fermentation of xylulose; required for xylose fermentation by recombinant S. cerevisiae strains
YGR011W_d3.383.63E-4YGR011W_dDubious open reading frame unlikely to encode a functional protein, based on available experimental and comparative sequence data
YBL039C3.363.94E-4URA7Major CTP synthase isozyme (see also URA8); catalyzes the ATP-dependent transfer of the amide nitrogen from glutamine to UTP, forming CTP, the final step in de novo biosynthesis of pyrimidines; involved in phospholipid biosynthesis; capable of forming cytoplasmic filaments termed cytoophidium, especially during conditions of glucose depletion; URA7 has a paralog, URA8, that arose from the whole genome duplication
YLR143W_p3.226.37E-4DPH6_pDiphthamide synthetase; catalyzes the last amidation step of diphthamide biosynthesis using ammonium and ATP; evolutionarily conserved in eukaryotes; dph6 mutants exhibit diphthine accumulation and resistance to sordarin, which is indicative of defects in diphthamide formation on EF2; green fluorescent protein (GFP)-tagged protein localizes to the cytoplasm; DPH6/YLR143W is not an essential gene
YGR040W3.197.08E-4KSS1Mitogen-activated protein kinase (MAPK) involved in signal transduction pathways that control filamentous growth and pheromone response; the KSS1 gene is nonfunctional in S288C strains and functional in W303 strains
YMR069W3.148.38E-4NAT4N alpha-acetyl-transferase, involved in acetylation of the N-terminal residues of histones H4 and H2A
YJR097W3.129.15E-4JJJ3Protein of unknown function, contains a CSL Zn finger and a DnaJ-domain; involved in diphthamide biosynthesis; ortholog human Dph4
YBL029C-A_p3.060.00110YBL029C-A_pProtein of unknown function; green fluorescent protein (GFP)-fusion protein localizes to the cell periphery; protein abundance increases in response to DNA replication stress; has potential orthologs in Saccharomyces species and in Yarrowia lipolytica
YDR223W2.930.00168CRF1Transcriptional corepressor involved in repression of ribosomal protein (RP) gene transcription via the TOR signaling pathway which promotes accumulation of Crf1p in the nucleus; role in repression of RP genes varies by strain
YGR086C2.880.00198PIL1Primary protein component of eisosomes; eisosomes are large immobile cell cortex structures associated with endocytosis; null mutant shows activation of Pkc1p/Ypk1p stress resistance pathways; detected in phosphorylated state in mitochondria; member of the BAR domain family; protein increases in abundance and relocalizes from plasma membrane to cytoplasm upon DNA replication stress
YOL061W2.870.00205PRS55-phospho-ribosyl-1(alpha)-pyrophosphate synthetase; synthesizes PRPP, which is required for nucleotide, histidine, and tryptophan biosynthesis; one of five related enzymes, which are active as heteromultimeric complexes; forms cytoplasmic foci upon DNA replication stress

GO enrichment analysis for SGTC_714
No biological processes are significantly enriched (FDR < 0.1).

No protein complexes are significantly enriched (FDR < 0.1).

Coinhibitory screens
Download Coinhibition data (tab-delimited text)  (excel)

Correlation pval Screen ID Condition Source PubChem
CID		 Tanimoto
Score		 Response
Signature
0.1527.34E-32SGTC_7192810-4230 27.3 μMChemDiv (Drug-like library)7210790.0645161
0.0871.91E-11SGTC_720r052-1644 49.9 μMChemDiv (Drug-like library)14228630.117021TSC3-RPN4
0.0681.60E-7SGTC_7150868-0130 184.0 μMChemDiv (Drug-like library)28762580.15625
0.0631.47E-6SGTC_32569138902 49.5 μMChembridge (Drug-like library)172287730.159091PDR1
0.0621.82E-6SGTC_24655809242 33.2 μMMiscellaneous27317480.132653
0.0571.34E-5SGTC_457grayanotoxin iii 135.0 μMICCB bioactive library468641900.00990099
0.0561.44E-5SGTC_1714st033236 13.6 μMTimTec (Natural product derivative library)29165660.138298
0.0534.96E-5SGTC_29849022109 39.0 μMChembridge (Drug-like library)64592070.22619
0.0501.05E-4SGTC_90092-0002 10.4 μMChemDiv (Drug-like library)7593680.135802
0.0501.19E-4SGTC_10523253-3998 198.0 μMChemDiv (Drug-like library)54503170.183673
0.0501.27E-4SGTC_2646retinol 96.8 μMMicrosource (Natural product library)4453540.05
0.0501.37E-4SGTC_5554296-0685 37.0 μMChemDiv (Drug-like library)29085400.131313ergosterol biosynthesis
0.0491.71E-4SGTC_7600568-0725 82.9 μMChemDiv (Drug-like library)39161710.10989
0.0482.45E-4SGTC_6751309-0189 238.0 μMChemDiv (Drug-like library)42465300.0952381
0.0473.07E-4SGTC_32419133421 49.5 μMChembridge (Drug-like library)170182210.0810811PDR1

Screens with compounds having similar structures
Screen ID Chemical Concentration Tanimoto Score PubChem ID Source Molecular Weight AlogP H-bond
donor
count		 H-bond
acceptor
count		 Response
Signature
SGTC_3203911354349.47 μM0.36111117018012Chembridge (Drug-like library)241.28513.08412
SGTC_3079911751249.47 μM0.3132537185044Chembridge (Drug-like library)338.360522.91515
SGTC_2000st07525436.4 μM0.30208317234175TimTec (Natural product derivative library)549.594883.7210
SGTC_2787528454071.43 μM0.294872736958Chembridge (Drug-like library)291.729563.24613
SGTC_3148909789349.47 μM0.29411817174100Chembridge (Drug-like library)322.357823.63114
SGTC_3297911750271.43 μM0.2926837453720Chembridge (Drug-like library)355.210341.93624
SGTC_3205911348349.47 μM0.29113917018033Chembridge (Drug-like library)271.311083.06813
SGTC_3176910658249.47 μM0.287517018027Chembridge (Drug-like library)275.730163.74812
SGTC_10044084-0029199 μM0.283951716894ChemDiv (Drug-like library)323.412083.22414
SGTC_552k242-0005476 μM0.2758624088318ChemDiv (Drug-like library)419.926525.8313