SCHEMBL3943473

SCHEMBL3943473

[CH]NCCc1ccc(CCCc2csc(NC(C)=O)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.67
MAOB P27338 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL3939953 0.93 AOC3 (0.73) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL3934030 0.90 AOC3 (0.70) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL3943479 0.89 AOC3 (0.68) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3943210 0.87 AOC3 (0.65) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3932588 0.86 AOC3 (0.71) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3943351 0.85 AOC3 (0.69) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3939971 0.85 AOC3 (0.73) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL3939152 0.85 AOC3 (0.73) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL5550194 0.84 AOC3 (0.68) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL27646789 0.84 AOC3 (0.68) AOC3MAOBSMN1; SMN2KMT2ANPC1

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