SCHEMBL6197347

SCHEMBL6197347

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.59
PIK3CA P42336 9/20 0.59
PIK3CG P48736 9/20 0.59
PIK3CB P42338 8/20 0.59
AOC3 Q16853 2/20 0.46
CSNK2A2 P19784 1/20 0.45
CSNK2A1 P68400 1/20 0.45
PTGS2 P35354 2/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSP90AA1 P07900 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTPN1 P18031 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
SCHEMBL6197343 1.00 PIK3CD (0.59) PIK3CDPIK3CAPIK3CGPIK3CBAOC3
SCHEMBL4871157 0.90 PIK3CA (0.57) PIK3CDPIK3CAPIK3CGPIK3CBAOC3
SCHEMBL4871160 0.90 PIK3CA (0.57) PIK3CDPIK3CAPIK3CGPIK3CBAOC3
SCHEMBL4867086 0.86 PIK3CD (0.57) PIK3CDPIK3CAPIK3CGPIK3CBAOC3
SCHEMBL4867076 0.86 PIK3CD (0.57) PIK3CDPIK3CAPIK3CGPIK3CBAOC3
SCHEMBL6264646 0.83 AOC3 (0.50) PIK3CDPIK3CAPIK3CGPIK3CBAOC3
SCHEMBL6264653 0.83 AOC3 (0.50) PIK3CDPIK3CAPIK3CGPIK3CBAOC3
SCHEMBL4990287 0.78 PIK3CD (0.60) PIK3CDPIK3CAPIK3CGPIK3CBAOC3
SCHEMBL4990301 0.78 PIK3CD (0.60) PIK3CDPIK3CAPIK3CGPIK3CBAOC3
SCHEMBL4874768 0.75 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587800-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS Astellas Pharma Inc. (JP) 2005-10-26 EP disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 WO disclosed