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SCHEMBL6472377

SCHEMBL6472377

COC(=O)c1ccc(CCc2c(C)[nH]c(=O)c(Br)c2OCc2ccc(F)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 16/20 0.47
▸ CCR6 P51684 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ MAPK12 P53778 1/20 0.40
▸ MAPK11 Q15759 1/20 0.40
▸ STRADA Q7RTN6 1/20 0.40

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
SCHEMBL6473656 0.92 MAPK14 (0.47) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL6471889 0.91 MAPK14 (0.45) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL6471267 0.90 MAPK14 (0.53) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471319 0.90 MAPK14 (0.54) MAPK14MAOB
SCHEMBL6471587 0.84 MAPK14 (0.46) MAPK14
SCHEMBL6473028 0.83 MAPK14 (0.49) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL6471706 0.83 MAPK14 (0.45) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL6473531 0.82 HTT (0.41) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472713 0.82 MAPK14 (0.55) MAPK14MAOBROCK2MAPK12MAPK11
SCHEMBL4377468 0.81 MAPK14 (0.43) MAPK14MAOBMAPK11

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