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SCHEMBL6471127

SCHEMBL6471127

Cc1ccc(S(N)(=O)=O)cc1-c1c(C)[nH]c(=O)c(Br)c1OCc1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 18/20 0.38
▸ BRD4 O60885 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ STRADA Q7RTN6 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 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
Hydrochloric Acid SCHEMBL6475352 0.84 MAPK14 (0.47) MAPK14
SCHEMBL6474735 0.84 MAPK14 (0.42) MAPK14
SCHEMBL6473312 0.84 MAPK14 (0.54) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471576 0.83 ALDH1A1 (0.41) MAPK14BRD4ROCK2MAPK12MAPK11
SCHEMBL6474423 0.83 MAPK14 (0.44) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473202 0.81 MAPK14 (0.49) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471760 0.81 MAPK14 (0.53) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473270 0.81 PTGS1 (0.42) MAPK14PTGS1PTGS2
SCHEMBL6473038 0.80 MAPK14 (0.55) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471464 0.80 MAPK14 (0.55) 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