SCHEMBL6196359

SCHEMBL6196359

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 13/20 0.65
PIK3CD O00329 12/20 0.65
PIK3CA P42336 10/20 0.65
PIK3CB P42338 9/20 0.65
AOC3 Q16853 5/20 0.64
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
PIK3C3 Q8NEB9 2/20 0.42
PIK3C2A O00443 1/20 0.42
PIK3C2B O00750 1/20 0.42
PI4KA P42356 1/20 0.42
PRKDC P78527 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4867104 0.86 AOC3 (0.75) PIK3CGPIK3CDPIK3CAPIK3CBAOC3
SCHEMBL4871983 0.85 PIK3CD (0.60) PIK3CGPIK3CDPIK3CAPIK3CBAOC3
SCHEMBL4874846 0.83 AOC3 (0.74) PIK3CGPIK3CDPIK3CAPIK3CBAOC3
SCHEMBL4874385 0.83 AOC3 (0.77) PIK3CGPIK3CDPIK3CAPIK3CBAOC3
SCHEMBL4877874 0.83 AOC3 (0.77) PIK3CGPIK3CDPIK3CAPIK3CBAOC3
SCHEMBL4867237 0.80 AOC3 (0.73) PIK3CGPIK3CDPIK3CAPIK3CBAOC3
SCHEMBL4871812 0.80 AOC3 (0.70) PIK3CGPIK3CDPIK3CAPIK3CBAOC3
SCHEMBL48857 0.79 PIK3CG (1.00) PIK3CGPIK3CDPIK3CAPIK3CBAOC3
SCHEMBL14019515 0.79 AOC3 (0.74) PIK3CGPIK3CDPIK3CAPIK3CBAOC3
SCHEMBL4991674 0.79 AOC3 (0.65) PIK3CGPIK3CDPIK3CAPIK3CBAOC3

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