SCHEMBL6471699

SCHEMBL6471699

Cc1[nH]c(=O)c(Br)c(OCc2ccc(F)cc2F)c1-c1ccc(C(=O)N(CCO)CCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.44
PTGER1 P34995 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAOB P27338 1/20 0.39
ROCK2 O75116 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
STRADA Q7RTN6 1/20 0.37

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
SCHEMBL6475153 0.89 MAPK14 (0.55) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL6472799 0.86 MAOB (0.44) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL6471353 0.86 MAPK14 (0.54) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL6472561 0.84 MAPK14 (0.53) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL6471477 0.82 MAPK14 (0.45) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL6471953 0.81 MAPK14 (0.41) MAPK14
SCHEMBL6474304 0.81 PTGER1 (0.43) MAPK14PTGER1MAOB
SCHEMBL6473360 0.80 MAPK14 (0.55) MAPK14PTGER1
SCHEMBL6473316 0.80 MAPK14 (0.58) MAPK14
SCHEMBL6475003 0.80 MAPK14 (0.52) MAPK14

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-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed