SCHEMBL6472837

SCHEMBL6472837

Cc1[nH]c(=O)c(Br)c(OCc2ccc(F)cc2F)c1Cc1ccc(S(=O)(=O)NCC(C)(C)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
MAPK14 Q16539 14/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
ROCK2 O75116 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
STRADA Q7RTN6 1/20 0.36

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
SCHEMBL6471475 0.89 MAPK14 (0.41) MMP1IKBKBCHUKMAPK14PTGS1
SCHEMBL6473270 0.85 PTGS1 (0.42) MAPK14PTGS1PTGS2
SCHEMBL6533872 0.85 MAPK14 (0.44) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471115 0.83 MAPK14 (0.41) MAPK14PTGS1PTGS2
SCHEMBL6471141 0.82 MAPK14 (0.39) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6473656 0.81 MAPK14 (0.47) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471706 0.80 MAPK14 (0.45) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6471870 0.80 MAPK14 (0.41) MAPK14ALDH1A1
SCHEMBL6472713 0.80 MAPK14 (0.55) MAPK14ROCK2MAPK12MAPK11STRADA
SCHEMBL6472007 0.79 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
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed