SCHEMBL3941114

SCHEMBL3941114

[CH]NCCc1cccc(CCc2csc(NC(C)=O)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.66
MAOB P27338 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CASP3 P42574 1/20 0.47
HTT P42858 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 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 0.90 AOC3 (0.73) AOC3MAOBSMN1; SMN2KMT2A
SCHEMBL3941118 0.89 AOC3 (0.67) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL973735 0.87 AOC3 (0.69) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL3407382 0.87 AOC3 (0.69) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL973247 0.87 AOC3 (0.69) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL971131 0.86 AOC3 (0.68) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL972875 0.86 AOC3 (0.71) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL973683 0.86 AOC3 (0.68) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL972653 0.86 AOC3 (0.81) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL971493 0.85 AOC3 (0.67) 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