SCHEMBL6474950

SCHEMBL6474950

Cc1[nH]c(=O)c(Br)c(OCc2ccc(F)cc2F)c1-c1cccc(C(=O)NCCO)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.53
MAPK11 Q15759 4/20 0.48
BRD4 O60885 1/20 0.40
ROCK2 O75116 1/20 0.39
MAPK12 P53778 1/20 0.39
STRADA Q7RTN6 1/20 0.39
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
SCHEMBL6471668 0.93 MAPK14 (0.45) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6472335 0.91 MAPK14 (0.44) MAPK14MAPK11BRD4ROCK2MAPK12
SCHEMBL6472561 0.91 MAPK14 (0.53) MAPK14MAPK11BRD4ROCK2MAPK12
SCHEMBL6471320 0.90 MAPK14 (0.55) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6474165 0.88 MAPK14 (0.46) MAPK14MAPK11ROCK2MAPK12STRADA
SCHEMBL6471515 0.87 MAPK14 (0.47) MAPK14PTGER1
SCHEMBL6471547 0.87 PTGER1 (0.49) MAPK14PTGER1
SCHEMBL4386716 0.87 MAPK14 (0.56) MAPK14MAPK11BRD4ROCK2MAPK12
SCHEMBL6470992 0.86 MAPK14 (0.54) MAPK14PTGER1
SCHEMBL6473360 0.85 MAPK14 (0.55) MAPK14PTGER1

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