SCHEMBL3400713

SCHEMBL3400713

CCOC(=O)NNc1cccc(CCc2csc(NC(C)=O)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 13/20 0.55
MAOB P27338 3/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MAPT P10636 3/20 0.46
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.44

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 SCHEMBL3407937 0.99 AOC3 (0.54) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL3406120 0.88 AOC3 (0.61) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL12947793 0.80 AOC3 (0.66) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL970699 0.79 AOC3 (0.63) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL973242 0.79 AOC3 (0.63) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL3406576 0.78 AOC3 (0.48) AOC3MAOBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL972554 0.78 AOC3 (0.62) AOC3MAOBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL971920 0.78 AOC3 (0.62) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL3431701 0.78 AOC3 (0.56) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL975251 0.78 AOC3 (0.56) AOC3MAOBNPC1RAB9ASMN1; SMN2

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