SCHEMBL9726659

SCHEMBL9726659

Cn1nnc(C(/C=C/C=O)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.36
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.32
HSD11B1 P28845 1/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.31
NPC1 O15118 1/20 0.31
RECQL P46063 1/20 0.31
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL9726666 1.00 HMGCR (0.36) HMGCRKDM4ERAB9ASMN1; SMN2TP53
SCHEMBL9726434 0.86 HSD11B1 (0.37) HMGCRKDM4ERAB9ASMN1; SMN2TP53
SCHEMBL9726752 0.85 HMGCR (0.36) HMGCR
SCHEMBL9726405 0.85 TRPM8 (0.39) HMGCRRAB9ASMN1; SMN2TP53LMNA
SCHEMBL9726494 0.85 HMGCR (0.32) HMGCR
SCHEMBL9726501 0.85 HMGCR (0.32) HMGCR
SCHEMBL9726747 0.85 HMGCR (0.36) HMGCR
SCHEMBL9726401 0.85 TRPM8 (0.39) HMGCRRAB9ASMN1; SMN2TP53LMNA
SCHEMBL9726734 0.79 HMGCR (0.31) HMGCR
SCHEMBL9726736 0.79 HMGCR (0.31) HMGCR

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