SCHEMBL13635915

SCHEMBL13635915

Cc1ccc(C(=O)O)cc1-n1c(C)cc(CCc2ccc(F)cc2CNC(=O)NC2CC2)cc1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.37
ROCK2 O75116 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
STRADA Q7RTN6 1/20 0.37
HTR7 P34969 1/20 0.36
MCHR1 Q99705 1/20 0.35
PDE4B Q07343 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL4376582 0.86 MAPK14 (0.43) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472178 0.80 MAPK14 (0.51) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29593340 0.79 MAPK14 (0.62) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4381572 0.79 MAPK14 (0.62) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4385571 0.79 MAPK14 (0.45) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4389772 0.78 MAPK14 (0.53) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473916 0.77 MAPK14 (0.49) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6508489 0.76 MAPK14 (0.44) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6501247 0.73 MAPK14 (0.50) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL3521464 0.73 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
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed