SCHEMBL9726587

SCHEMBL9726587

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

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
RAB9A P51151 4/20 0.40
LMNA P02545 1/20 0.37
NPC1 O15118 3/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ESR2 Q92731 1/20 0.34
KMT2A Q03164 1/20 0.33

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
SCHEMBL9726463 0.80 HSD17B10 (0.39) TRPM8SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL9726744 0.80 ESR2 (0.33) SMN1; SMN2RAB9AESR2
SCHEMBL9726403 0.78 TRPM8 (0.42) TRPM8SMN1; SMN2RAB9ALMNANPC1
SCHEMBL9726401 0.75 TRPM8 (0.39) TRPM8SMN1; SMN2RAB9ALMNANPC1
SCHEMBL9726405 0.75 TRPM8 (0.39) TRPM8SMN1; SMN2RAB9ALMNANPC1
SCHEMBL9726441 0.75 SMN1; SMN2 (0.43) TRPM8SMN1; SMN2RAB9ALMNANPC1
SCHEMBL9726531 0.72 POLB (0.36) RAB9ANPC1PKMHTTESR2
SCHEMBL10609294 0.70 RAB9A (0.41) TRPM8SMN1; SMN2RAB9ANPC1PKM
SCHEMBL10609444 0.70 TRPM8 (0.38) TRPM8SMN1; SMN2RAB9A
SCHEMBL10609291 0.69 TRPM8 (0.39) TRPM8SMN1; SMN2RAB9ALMNANPC1

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