SCHEMBL3939934

SCHEMBL3939934

CC(=O)Nc1nc(-c2ccc(/C=C/C(=O)O)cc2)c(Cc2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.52
AOC3 Q16853 11/20 0.51
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
PLTP P55058 3/20 0.41
CDC25B P30305 1/20 0.40
DUSP3 P51452 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
SCHEMBL3939937 1.00 RORC (0.52) RORCAOC3PIK3CDPIK3CAPIK3CB
SCHEMBL5547033 0.91 AOC3 (0.50) RORCAOC3PIK3CDPIK3CAPIK3CB
SCHEMBL3930927 0.89 RORC (0.54) RORCAOC3PIK3CDPIK3CAPIK3CB
SCHEMBL5547036 0.87 RORC (0.52) RORCAOC3PIK3CDPIK3CAPIK3CB
SCHEMBL5547039 0.87 RORC (0.52) RORCAOC3PIK3CDPIK3CAPIK3CB
SCHEMBL4990301 0.85 PIK3CD (0.60) RORCAOC3PIK3CDPIK3CAPIK3CB
SCHEMBL4990287 0.85 PIK3CD (0.60) RORCAOC3PIK3CDPIK3CAPIK3CB
SCHEMBL3933160 0.85 RORC (0.56) RORCAOC3PIK3CDPIK3CAPIK3CB
SCHEMBL3936254 0.83 AOC3 (0.56) RORCAOC3PIK3CDPIK3CAPIK3CB
SCHEMBL3931236 0.83 AOC3 (0.55) RORCAOC3PIK3CDPIK3CAPIK3CB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 WO disclosed