SCHEMBL6473159

SCHEMBL6473159

CNC(=O)c1cc(Br)ccc1-c1c(C)[nH]c(=O)c(Br)c1OCc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.46
PTGER1 P34995 9/20 0.46
ROCK2 O75116 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
STRADA Q7RTN6 1/20 0.43

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
SCHEMBL6474381 0.91 MAPK14 (0.45) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL6471510 0.90 PTGER1 (0.41) MAPK14PTGER1
SCHEMBL6473216 0.90 MAPK14 (0.44) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL6472059 0.90 MAPK14 (0.44) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL6472757 0.90 MAPK14 (0.46) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL6474251 0.89 MAPK14 (0.43) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL6471391 0.88 MAPK14 (0.42) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL6471517 0.87 MAPK14 (0.51) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL6471464 0.84 MAPK14 (0.55) MAPK14PTGER1ROCK2MAPK12MAPK11
SCHEMBL6474194 0.84 MAPK14 (0.49) MAPK14PTGER1ROCK2MAPK12MAPK11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO claimed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed