SCHEMBL9263153

SCHEMBL9263153

ONCc1ccc(OCc2csc(-c3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 4/20 0.52
GFER P55789 1/20 0.51
LMNA P02545 1/20 0.50
MAPT P10636 5/20 0.49
ALOX5 P09917 1/20 0.48
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
SCN9A Q15858 7/20 0.47
KCNH2 Q12809 2/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL9262328 0.88 KDM4E (0.55) NPC1RAB9ATP53LMNAMAPT
SCHEMBL9257856 0.88 ALDH1A1 (0.50) NPC1RAB9ATP53LMNAMAPT
SCHEMBL9177050 0.86 PPARA (0.62) TP53GFERMAPTPPARGPPARA
SCHEMBL9266531 0.85 TP53 (0.51) TP53LMNAMAPTALOX5PPARG
SCHEMBL9263735 0.79 NPC1 (0.54) NPC1RAB9ATP53GFERLMNA
SCHEMBL9253236 0.79 ALOX5 (0.52) NPC1RAB9ATP53GFERLMNA
SCHEMBL9253242 0.79 ALOX5 (0.52) NPC1RAB9ATP53GFERLMNA
SCHEMBL9261010 0.78 PPARG (0.51) NPC1RAB9ATP53GFERLMNA
SCHEMBL9265189 0.78 NPC1 (0.50) NPC1RAB9ATP53GFERLMNA
SCHEMBL9178228 0.76 PPARA (0.55) NPC1RAB9ATP53LMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459154-A Enzyme inhibitors as antiinflammatory agents and treatment of atherosclerosis AMERICAN HOME PRODUCTS CORPORATION (US) 1995-10-17 US disclosed