SCHEMBL9458070

SCHEMBL9458070

CCCc1nc(NCC(=O)O)sc1Cc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 10/20 0.45
XIAP P98170 5/20 0.39
PTGS2 P35354 2/20 0.38
COPS5 Q92905 2/20 0.38
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36

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
SCHEMBL9457392 0.84 PLTP (0.42) AOC3
SCHEMBL9458112 0.83 AOC3 (0.58) AOC3XIAP
SCHEMBL9458174 0.83 SMN1; SMN2 (0.42) AOC3PTGS2COPS5
SCHEMBL9457466 0.77 MAPT (0.42) AOC3XIAP
SCHEMBL9457422 0.76 COPS5 (0.44) COPS5
SCHEMBL9458127 0.74 HTT (0.40) AOC3COPS5
SCHEMBL9458088 0.74 CYP3A4 (0.38) AOC3COPS5
SCHEMBL4875662 0.74 AOC3 (0.76) AOC3XIAP
SCHEMBL9710192 0.73 LDHA (0.37) AOC3COPS5
SCHEMBL9710207 0.72 COPS5 (0.36) AOC3COPS5

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
US-5192781-A Cardiovascular LABORATOIRES UPSA (FR) 1993-03-09 US disclosed