SCHEMBL6264653

SCHEMBL6264653

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 14/20 0.50
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PTGS2 P35354 1/20 0.41
RORC P51449 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PTPN1 P18031 1/20 0.39
OGA O60502 1/20 0.38

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
SCHEMBL6264646 1.00 AOC3 (0.50) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4874841 0.91 AOC3 (0.49) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4874836 0.91 AOC3 (0.49) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3932528 0.90 AOC3 (0.50) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3936307 0.90 AOC3 (0.50) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3932522 0.90 AOC3 (0.50) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3939278 0.87 AOC3 (0.49) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3939275 0.87 AOC3 (0.49) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5503174 0.87 AOC3 (0.49) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3941424 0.87 AOC3 (0.49) AOC3PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE Sucampo AG (CH) 2005-12-28 EP disclosed
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 EP disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 WO disclosed