SCHEMBL3935868

SCHEMBL3935868

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.42
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
ACACB O00763 1/20 0.35
RXFP1 Q9HBX9 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 0.95 AOC3 (0.42) AOC3ACACB
SCHEMBL3930908 0.91 AOC3 (0.51) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3931989 0.90 AOC3 (0.39) AOC3
SCHEMBL4873612 0.89 AOC3 (0.46) AOC3
SCHEMBL4875183 0.88 AOC3 (0.45) AOC3RXFP1
SCHEMBL4989585 0.88 AOC3 (0.47) AOC3
SCHEMBL4876548 0.86 AOC3 (0.51) AOC3
SCHEMBL3943342 0.85 AOC3 (0.43) AOC3
SCHEMBL5545480 0.85 AOC3 (0.40) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3936616 0.84 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 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