SCHEMBL5178246

SCHEMBL5178246

CC(=O)Nc1nc(CCc2ccc(CCNC(N(C(=O)O)C(C)(C)C)N(C(=O)O)C(C)(C)C)s2)cs1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.46
MAOB P27338 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CASP3 P42574 1/20 0.39
HTT P42858 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL5178740 0.94 AOC3 (0.44) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4867212 0.88 AOC3 (0.58) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL5547016 0.85 AOC3 (0.55) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL5547043 0.85 AOC3 (0.55) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL5551573 0.85 AOC3 (0.56) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4887509 0.84 AOC3 (0.53) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4870584 0.82 AOC3 (0.58) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL5545486 0.82 AOC3 (0.53) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4887312 0.79 AOC3 (0.55) AOC3MAOBSMN1; SMN2KMT2ANPC1
SCHEMBL4881038 0.79 AOC3 (0.50) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791835-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006028269-A2 THIAZOLE DERIVATIVES HAVING VAP-1 IHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-03-16 WO disclosed