SCHEMBL3401780

SCHEMBL3401780

CCc1ccc(CCc2csc(NC(C)=O)n2)cc1OC(=O)NNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 17/20 0.51
MAOB P27338 3/20 0.47
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
HTT P42858 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL973715 0.86 AOC3 (0.60) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL12947687 0.84 AOC3 (0.54) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL972668 0.83 AOC3 (0.53) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL972059 0.82 AOC3 (0.60) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL972993 0.82 AOC3 (0.60) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL12947789 0.81 AOC3 (0.50) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL3431701 0.80 AOC3 (0.56) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL973281 0.80 AOC3 (0.59) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL975251 0.80 AOC3 (0.56) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL3407705 0.80 HTT (0.57) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1

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-2252604-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-Tech Ueno, Ltd. (JP) 2010-11-24 EP disclosed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 WO disclosed