SCHEMBL6471371

SCHEMBL6471371

Cc1ccc(C(=O)NCCO)cc1-c1c(CO)[nH]c(=O)c(Br)c1OCc1ccc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.55
MAPK11 Q15759 4/20 0.51
ROCK2 O75116 1/20 0.43
MAPK12 P53778 1/20 0.43
STRADA Q7RTN6 1/20 0.43
BRD4 O60885 1/20 0.42

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
SCHEMBL4386716 0.92 MAPK14 (0.56) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6471285 0.91 MAPK14 (0.55) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6470995 0.89 MAPK14 (0.51) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6472140 0.88 MAPK14 (0.43) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6471877 0.88 MAPK14 (0.51) MAPK14MAPK11ROCK2MAPK12STRADA
Hydrochloric Acid SCHEMBL6471693 0.85 MAPK14 (0.48) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6472885 0.85 MAPK14 (0.48) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6471375 0.84 MAPK14 (0.48) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6471677 0.84 MAPK14 (0.46) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6472561 0.83 MAPK14 (0.53) MAPK14MAPK11ROCK2MAPK12STRADA

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