SCHEMBL5201750

SCHEMBL5201750

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 1/20 0.49
MAOB P27338 3/20 0.48
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
SCHEMBL5179460 0.83 AOC3 (0.57) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4886677 0.83 AOC3 (0.57) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4880248 0.83 AOC3 (0.57) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL971613 0.83 AOC3 (0.60) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL12947691 0.83 AOC3 (0.60) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL974654 0.82 AOC3 (0.58) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL974214 0.82 AOC3 (0.73) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL972138 0.82 AOC3 (0.65) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL972905 0.82 SMN1; SMN2 (0.66) AOC3SMN1; SMN2KMT2AMAOBNPC1
SCHEMBL4887509 0.82 AOC3 (0.53) AOC3SMN1; SMN2KMT2AMAOBNPC1

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