SCHEMBL6471345

SCHEMBL6471345

Cc1[nH]c(=O)c(Br)c(OCc2ccc(F)cc2F)c1-c1ccc(C(=O)O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
MAPK14 Q16539 9/20 0.43
PTGER1 P34995 8/20 0.43
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
PPARA Q07869 1/20 0.41
ROCK2 O75116 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
STRADA Q7RTN6 1/20 0.40

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
SCHEMBL6472855 0.93 PTGER1 (0.44) MAOBMAPK14PTGER1KDM5AKDM4C
SCHEMBL6471916 0.93 PTGER1 (0.45) MAOBMAPK14PTGER1
SCHEMBL6474423 0.93 MAPK14 (0.44) MAOBMAPK14PTGER1PPARAROCK2
SCHEMBL6474395 0.91 MAPK14 (0.51) MAOBMAPK14PTGER1ROCK2MAPK12
SCHEMBL6471261 0.91 PTGER1 (0.42) MAOBMAPK14PTGER1PPARAROCK2
SCHEMBL6532902 0.91 PTGER1 (0.47) MAOBMAPK14PTGER1
SCHEMBL6472384 0.90 PTGER1 (0.44) MAOBMAPK14PTGER1KDM5AKDM4C
SCHEMBL6471427 0.90 MAPK14 (0.46) MAPK14PTGER1PPARA
SCHEMBL6533709 0.90 MAPK14 (0.52) MAOBMAPK14PTGER1ROCK2MAPK12
SCHEMBL6472799 0.89 MAOB (0.44) MAOBMAPK14PTGER1ROCK2MAPK12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004052366-A9 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AG (DE) 2005-06-23 WO disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed