SCHEMBL3939953

SCHEMBL3939953

[CH]NCCc1ccc(CCc2csc(NC(C)=O)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 18/20 0.73
MAOB P27338 3/20 0.65
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL3943473 0.93 AOC3 (0.67) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3934030 0.93 AOC3 (0.70) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3941114 0.90 AOC3 (0.66) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3939958 0.88 AOC3 (0.74) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL4871898 0.86 AOC3 (0.71) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL972537 0.85 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL27626594 0.85 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL971466 0.85 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL975119 0.85 AOC3 (0.78) AOC3MAOBKMT2ASMN1; SMN2
SCHEMBL3939772 0.85 AOC3 (0.70) AOC3MAOBKMT2ASMN1; SMN2

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