SCHEMBL3930908

SCHEMBL3930908

CC(=O)Nc1nc(CCc2ccc(NC(NC(=O)O)NC(=O)O)cc2)c(CN(C)C(=O)c2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 15/20 0.51
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
LIMK2 P53671 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3939586 0.91 AOC3 (0.42) AOC3
SCHEMBL3935868 0.91 AOC3 (0.42) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4875627 0.89 AOC3 (0.64) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3931989 0.88 AOC3 (0.39) AOC3MEN1KMT2A
SCHEMBL4986138 0.87 AOC3 (0.65) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5551577 0.86 AOC3 (0.49) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4873612 0.86 AOC3 (0.46) AOC3
SCHEMBL3934271 0.85 AOC3 (0.60) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3935108 0.85 AOC3 (0.58) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4875183 0.84 AOC3 (0.45) AOC3

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
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed