SCHEMBL3406052

SCHEMBL3406052

CCN(NC(=O)Oc1cccc(CCc2csc(NC(C)=O)n2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 16/20 0.49
MAOB P27338 3/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3401758 0.89 AOC3 (0.54) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL12947687 0.86 AOC3 (0.54) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL3406059 0.83 AOC3 (0.49) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL3406288 0.81 NPC1 (0.58) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL971452 0.80 AOC3 (0.61) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL3406056 0.80 AOC3 (0.48) AOC3MAOBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL972158 0.80 AOC3 (0.60) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL973533 0.78 AOC3 (0.52) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL973606 0.78 AOC3 (0.52) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL16784935 0.78 AOC3 (0.58) 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 disclosed
WO-2009096609-A1 THIAZOLE DERIVATIVE AND USE THEREOF AS VAP-1 INHIBITOR R-TECH UENO, LTD. (JP) 2009-08-06 WO disclosed