SCHEMBL6472180

SCHEMBL6472180

C=Cc1ccc(-c2c(C)[nH]c(=O)c(Br)c2OCc2ccc(F)cc2F)cc1C(=O)NC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.43
ROCK2 O75116 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
STRADA Q7RTN6 1/20 0.41
PTGER1 P34995 2/20 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
SCHEMBL6473673 0.91 MAPK14 (0.38) MAPK14PTGER1
SCHEMBL6472863 0.86 MAPK14 (0.43) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6474251 0.84 MAPK14 (0.43) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471320 0.82 MAPK14 (0.55) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472896 0.81 MAPK14 (0.41) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473159 0.81 MAPK14 (0.46) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471517 0.80 MAPK14 (0.51) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473216 0.80 MAPK14 (0.44) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471953 0.79 MAPK14 (0.41) MAPK14
SCHEMBL6474381 0.79 MAPK14 (0.45) MAPK14ROCK2MAPK12MAPK11STRADA

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