SCHEMBL6821640

SCHEMBL6821640

CCC(=O)Nc1cc2onc(C(=O)Nc3ccc(C#N)cc3C(=O)O)c2cc1-c1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.36
ALB P02768 2/20 0.35
LRRK2 Q5S007 1/20 0.35
CDK2 P24941 1/20 0.35
TRPM4 Q8TD43 1/20 0.34
CETP P11597 2/20 0.34
CSF1R P07333 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
HIF1A Q16665 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 2/20 0.33
DHODH Q02127 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
CEPT1 Q9Y6K0 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6817656 0.98 MAPK14 (0.36) MAPK14ALBLRRK2CDK2TRPM4
SCHEMBL6817639 0.91 ALB (0.36) MAPK14ALBLRRK2CDK2CSF1R
SCHEMBL6818178 0.90 HIF1A (0.43) ALBLRRK2TRPM4HIF1ASMN1; SMN2
SCHEMBL6818579 0.89 HIF1A (0.38) MAPK14ALBLRRK2CDK2CSF1R
SCHEMBL6818765 0.88 ALB (0.37) MAPK14ALBLRRK2CDK2CSF1R
SCHEMBL6818019 0.87 KDM4E (0.38) MAPK14ALBLRRK2CDK2TRPM4
SCHEMBL6817683 0.87 HIF1A (0.44) ALBLRRK2TRPM4HIF1ASMN1; SMN2
SCHEMBL6821275 0.87 HIF1A (0.38) ALBLRRK2CDK2CSF1RGSK3A
SCHEMBL6818998 0.87 HIF1A (0.39) MAPK14ALBLRRK2CDK2GSK3A
SCHEMBL6819458 0.87 CETP (0.35) ALBCDK2TRPM4CETPSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed