SCHEMBL6665722

SCHEMBL6665722

COc1ccc(C(N)=O)cn1.O=C(O)c1ccc2c(c1)C(=O)CC(=O)N2Cc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
OPRM1 P35372 2/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.38
PARP10 Q53GL7 1/20 0.38
OPRK1 P41145 2/20 0.37
KCNH2 Q12809 1/20 0.37
OPRD1 P41143 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
MAPT P10636 1/20 0.37
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL6668051 0.90 PTGDR2 (0.43) NNMTOPRM1KMT2AMAOBOPRK1
SCHEMBL6665427 0.90 NNMT (0.43) NNMTKDM4EOPRM1MKNK1MKNK2
SCHEMBL6666674 0.89 KDM4C (0.42) KDM4EALDH1A1KMT2AMAOBPARP10
SCHEMBL6668559 0.88 NNMT (0.41) NNMTKDM4EOPRM1OPRK1KCNH2
SCHEMBL6669305 0.88 PRKAG1 (0.41) NNMTKDM4EOPRM1OPRK1KCNH2
SCHEMBL6664538 0.87 NNMT (0.45) NNMTOPRM1MKNK1MKNK2OPRK1
SCHEMBL6666774 0.87 MAPT (0.47) KDM4EALDH1A1KMT2AMAOBPARP10
SCHEMBL6663894 0.84 ALDH1A1 (0.45) KDM4EALDH1A1OPRM1KMT2AMAOB
SCHEMBL6663534 0.79 NNMT (0.41) NNMTOPRM1MKNK1MKNK2MAOB
SCHEMBL6668468 0.78 KDM5A (0.41) OPRK1KCNH2KDM4C

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-2004014388-A1 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed