SCHEMBL3406576

SCHEMBL3406576

CCOC(=O)NNc1ccc(CCc2csc(NC(C)=O)n2)s1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 11/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.45
MAOB P27338 3/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
ESR2 Q92731 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
Hydrochloric Acid SCHEMBL3398844 0.99 AOC3 (0.47) AOC3SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3406120 0.81 AOC3 (0.61) AOC3SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4890242 0.79 AOC3 (0.52) AOC3SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL15251899 0.79 AOC3 (0.60) AOC3SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL3400713 0.78 AOC3 (0.55) AOC3SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL973445 0.78 AOC3 (0.54) AOC3SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL973114 0.78 AOC3 (0.54) AOC3SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL5177387 0.78 AOC3 (0.56) AOC3SMN1; SMN2NPC1RAB9AMAOB
SCHEMBL14281008 0.78 AOC3 (0.56) AOC3SMN1; SMN2NPC1RAB9AMAOB
Carbamic Acid SCHEMBL4890251 0.78 AOC3 (0.56) AOC3SMN1; SMN2NPC1RAB9AMAOB

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 4 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 claimed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 WO claimed
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