SCHEMBL9726403

SCHEMBL9726403

CCn1nnc(C(C=O)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.42
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.35
HMGCR P04035 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9726401 0.88 TRPM8 (0.39) TRPM8RAB9ASMN1; SMN2NPC1TP53
SCHEMBL9726405 0.88 TRPM8 (0.39) TRPM8RAB9ASMN1; SMN2NPC1TP53
SCHEMBL9726434 0.83 HSD11B1 (0.37) RAB9ASMN1; SMN2NPC1TP53HMGCR
SCHEMBL9726424 0.82 HMGCR (0.36) RAB9ASMN1; SMN2NPC1HMGCR
SCHEMBL9726603 0.81 HSD17B10 (0.38) RAB9ASMN1; SMN2NPC1TP53MAPK1
SCHEMBL9726796 0.79 HMGCR (0.32) RAB9ASMN1; SMN2HMGCR
SCHEMBL9726587 0.78 TRPM8 (0.43) TRPM8RAB9ASMN1; SMN2NPC1TP53
SCHEMBL10609288 0.78 TRPM8 (0.39) TRPM8RAB9ASMN1; SMN2NPC1TP53
SCHEMBL10609291 0.78 TRPM8 (0.39) TRPM8RAB9ASMN1; SMN2NPC1TP53
SCHEMBL9726441 0.78 SMN1; SMN2 (0.43) TRPM8RAB9ASMN1; SMN2NPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5110940-A Inhibitors of 3-hydroxy-3-methylglutaryl coenzyme A reductase BRISTOL-MYERS COMPANY (US) 1992-05-05 US disclosed
US-5068346-A Anticholesterol agents BRISTOL-MYERS COMPANY (US) 1991-11-26 US disclosed
US-4897490-A DERIVATIVES OF BETA-HYDROXY,OMEGA-DIPHENYL,TETRAZOL-5-YL ALK-OMEGA-ENOIC ACID, ESTER OR LACTONE BRISTOL-MEYERS COMPANY (US) 1990-01-30 US disclosed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed