SCHEMBL7665012

SCHEMBL7665012

CC(=NOCc1ccccc1)c1cccc(Cn2c(Cl)nn(C)c2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
PPARG P37231 14/20 0.48
PPARA Q07869 13/20 0.48
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NR1H4 Q96RI1 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL7665010 1.00 NPC1 (0.50) NPC1RAB9APPARGPPARAL3MBTL1
SCHEMBL7671289 0.87 PPARG (0.48) NPC1RAB9APPARGPPARAL3MBTL1
SCHEMBL7671293 0.87 PPARG (0.48) NPC1RAB9APPARGPPARAL3MBTL1
SCHEMBL7673517 0.86 NPC1 (0.42) NPC1RAB9APPARGPPARAL3MBTL1
SCHEMBL7673511 0.86 NPC1 (0.42) NPC1RAB9APPARGPPARAL3MBTL1
SCHEMBL7668909 0.85 TP53 (0.37) NPC1RAB9AL3MBTL1SMN1; SMN2LMNA
SCHEMBL7669055 0.75 HPGD (0.45) L3MBTL1LMNAHTTTP53
SCHEMBL7671067 0.73 PPARG (0.39) NPC1RAB9APPARGPPARAL3MBTL1
SCHEMBL7671070 0.73 PPARG (0.39) NPC1RAB9APPARGPPARAL3MBTL1
SCHEMBL7673230 0.73 PPARG (0.60) NPC1RAB9APPARGPPARAL3MBTL1

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
US-6489487-B1 AGRICULTURAL OR HORTICULTURAL FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-03 US disclosed
EP-1103548-A1 TRIAZOLONE DERIVATIVES, USE THEREOF, AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-05-30 EP disclosed