SCHEMBL6472896

SCHEMBL6472896

COC(=O)c1cc(-c2c(C)[nH]c(=O)c(Br)c2OCc2ccc(F)cc2F)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.41
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
SCHEMBL6471515 0.86 MAPK14 (0.47) MAPK14
SCHEMBL6471510 0.84 PTGER1 (0.41) MAPK14
SCHEMBL6472799 0.82 MAOB (0.44) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473673 0.82 MAPK14 (0.38) MAPK14
SCHEMBL6471353 0.81 MAPK14 (0.54) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472180 0.81 MAPK14 (0.43) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472000 0.81 MAPK14 (0.49) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473278 0.81 MAPK14 (0.42) MAPK14
SCHEMBL6471953 0.81 MAPK14 (0.41) MAPK14
SCHEMBL6474304 0.81 PTGER1 (0.43) 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 claimed