SCHEMBL3401758

SCHEMBL3401758

CCN(NC(=O)Oc1ccc(CCc2csc(NC(C)=O)n2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 18/20 0.54
MAOB P27338 3/20 0.52
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
HTT P42858 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42

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
SCHEMBL3406052 0.89 AOC3 (0.49) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL3406288 0.88 NPC1 (0.58) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL973715 0.84 AOC3 (0.60) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL3404604 0.84 L3MBTL1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL3401766 0.81 AOC3 (0.54) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL3401762 0.80 AOC3 (0.53) AOC3MAOBSMN1; SMN2
SCHEMBL5179585 0.80 AOC3 (0.71) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL4877973 0.79 AOC3 (0.54) AOC3MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL972829 0.79 AOC3 (0.70) AOC3MAOBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL974398 0.78 AOC3 (0.69) 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