SCHEMBL3403360

SCHEMBL3403360

CCOS(=O)(=O)Cc1ccccc1CCc1csc(NC(C)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 14/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CASP3 P42574 1/20 0.47
HTT P42858 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 3/20 0.47
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL3933972 0.76 AOC3 (0.59) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3401815 0.76 NPC1 (0.62) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8430108 0.75 AOC3 (0.76) AOC3NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL9570944 0.73 SMN1; SMN2 (0.69) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2612387 0.72 SMN1; SMN2 (0.73) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10745939 0.72 SMN1; SMN2 (0.60) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL971477 0.72 AOC3 (0.48) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL972294 0.71 AOC3 (0.61) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3933298 0.71 AOC3 (0.56) AOC3NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3404379 0.71 AOC3 (0.43) 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