SCHEMBL9726535

SCHEMBL9726535

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ESR2 Q92731 2/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 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
SCHEMBL9235124 0.88 HMGCR (0.46) HMGCRALDH1A1LMNATP53USP2
SCHEMBL9726875 0.87 HMGCR (0.45) HMGCRALDH1A1LMNATP53USP2
SCHEMBL9726531 0.83 POLB (0.36) HMGCRALDH1A1ESR2USP2HSD17B10
SCHEMBL9726584 0.83 HMGCR (0.38) HMGCRESR2USP2HSD17B10
SCHEMBL9233023 0.82 HMGCR (0.44) HMGCRALDH1A1LMNATP53USP2
Hydrochloric Acid SCHEMBL9726849 0.82 HMGCR (0.37) HMGCRESR2
SCHEMBL9726579 0.80 HMGCR (0.43) HMGCRALDH1A1LMNATP53USP2
SCHEMBL9235476 0.80 HMGCR (0.46) HMGCRALDH1A1LMNATP53ESR2
SCHEMBL9726582 0.79 HMGCR (0.42) HMGCRALDH1A1LMNATP53USP2
SCHEMBL10527444 0.79 HMGCR (0.45) HMGCRALDH1A1LMNATP53USP2

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 6 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-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