SCHEMBL6472893

SCHEMBL6472893

Cc1[nH]c(=O)c(Br)c(OCc2ccc(F)cc2F)c1Cc1ccc(C(=O)NCCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.51
MAPK11 Q15759 4/20 0.47
ROCK2 O75116 1/20 0.41
MAPK12 P53778 1/20 0.41
STRADA Q7RTN6 1/20 0.41

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
Hydrochloric Acid SCHEMBL6470993 0.93 MAPK14 (0.44) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6533872 0.89 MAPK14 (0.44) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6471546 0.88 MAPK14 (0.44) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6473656 0.87 MAPK14 (0.47) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6471706 0.87 MAPK14 (0.45) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6472561 0.86 MAPK14 (0.53) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6472713 0.86 MAPK14 (0.55) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6474519 0.85 MAPK14 (0.46) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6471475 0.84 MAPK14 (0.41) MAPK14
SCHEMBL6471267 0.84 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