SCHEMBL3935667

SCHEMBL3935667

CC(=O)Nc1nc(CCc2ccc(NC(=O)CNC(NC(=O)O)NC(=O)O)cc2)c(Cc2ccc(S(C)(=O)=O)cc2)s1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.61
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
RORC P51449 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4986138 0.89 AOC3 (0.65) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3938903 0.89 AOC3 (0.65) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4873920 0.87 AOC3 (0.72) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5550418 0.85 AOC3 (0.57) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14019612 0.84 AOC3 (0.71) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL3930741 0.84 AOC3 (0.70) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4875627 0.84 AOC3 (0.64) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL14365397 0.83 AOC3 (0.67) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL3935924 0.83 AOC3 (0.66) AOC3PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4874225 0.82 AOC3 (0.70) 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