SCHEMBL9726533

SCHEMBL9726533

Cn1nnnc1C(C=O)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.55
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
USP2 O75604 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ATM Q13315 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
SCHEMBL9726697 0.95 HMGCR (0.52) HMGCRALDH1A1
SCHEMBL9726690 0.95 HMGCR (0.52) HMGCRALDH1A1
SCHEMBL9726705 0.95 HMGCR (0.52) HMGCRALDH1A1
SCHEMBL9726481 0.87 HMGCR (0.57) HMGCRALDH1A1LMNATP53ATM
SCHEMBL9726476 0.87 HMGCR (0.57) HMGCRALDH1A1LMNATP53ATM
SCHEMBL9726944 0.85 HMGCR (0.42) HMGCRALDH1A1
SCHEMBL9799413 0.84 HMGCR (0.55) HMGCRALDH1A1LMNATP53ATM
SCHEMBL9799408 0.84 HMGCR (0.55) HMGCRALDH1A1LMNATP53ATM
SCHEMBL9726484 0.83 HMGCR (0.43) HMGCR
SCHEMBL9726963 0.83 TCF4 (0.46) HMGCRALDH1A1LMNAHSD17B10

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 8 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 claimed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO claimed
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-4939265-A Intermediates and process for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-07-03 US disclosed
US-4898949-A Intermediates for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-02-06 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