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Sugi Predict / Compounds / SCHEMBL13635341

SCHEMBL13635341

SCHEMBL13635341

Bc1c(OCc2ccc(F)cc2F)cc(C)n(-c2ccc(C(=O)N(C)C)cc2F)c1=O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 18/20 0.68
▸ ROCK2 O75116 1/20 0.52
▸ MAPK12 P53778 1/20 0.52
▸ MAPK11 Q15759 1/20 0.52
▸ STRADA Q7RTN6 1/20 0.52
▸ PTGER1 P34995 2/20 0.51

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
SCHEMBL4374178 0.89 MAPK14 (0.85) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29594196 0.84 MAPK14 (0.72) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL5862611 0.84 MAPK14 (0.72) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4374158 0.84 MAPK14 (0.88) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29593458 0.84 MAPK14 (0.88) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL13635212 0.81 MAPK14 (0.64) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4382884 0.81 MAPK14 (1.00) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6505301 0.80 MAPK14 (0.79) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL4390394 0.80 MAPK14 (0.84) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL29593933 0.80 MAPK14 (0.84) 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