SCHEMBL6533872

SCHEMBL6533872

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

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.44
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 0.39

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
SCHEMBL6471507 0.91 MAPK14 (0.41) MAPK14MAPK11
SCHEMBL6472893 0.89 MAPK14 (0.51) MAPK14ROCK2MAPK12MAPK11STRADA
Hydrochloric Acid SCHEMBL6470993 0.89 MAPK14 (0.44) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473656 0.86 MAPK14 (0.47) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471706 0.86 MAPK14 (0.45) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472713 0.85 MAPK14 (0.55) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6474965 0.85 MAPK14 (0.39) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472837 0.85 MMP1 (0.39) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471141 0.84 MAPK14 (0.39) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472007 0.83 MAPK14 (0.48) 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