SCHEMBL6533709

SCHEMBL6533709

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

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.52
PTGER1 P34995 3/20 0.47
MAOB P27338 1/20 0.41
ROCK2 O75116 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
STRADA Q7RTN6 1/20 0.39

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
SCHEMBL6473038 0.93 MAPK14 (0.55) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL6474392 0.92 MAPK14 (0.48) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL6472326 0.91 MAPK14 (0.51) MAPK14PTGER1
SCHEMBL6475153 0.90 MAPK14 (0.55) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL6471345 0.90 MAOB (0.43) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL6474395 0.89 MAPK14 (0.51) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL6471398 0.88 MAPK14 (0.49) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL6473360 0.88 MAPK14 (0.55) MAPK14PTGER1
SCHEMBL6472855 0.83 PTGER1 (0.44) MAPK14PTGER1MAOBROCK2MAPK12
SCHEMBL6471010 0.83 MAPK14 (0.51) MAPK14MAOBROCK2MAPK12MAPK11

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