SCHEMBL9726595

SCHEMBL9726595

CCOC(=O)C(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 5/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CASP3 P42574 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
ALDH1A1 P00352 3/20 0.37
ALOX5 P09917 1/20 0.36
EPHX2 P34913 1/20 0.35
PPARG P37231 1/20 0.35
ELANE P08246 1/20 0.35
CES2 O00748 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
SCHEMBL9726429 0.74 HMGCR (0.48) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL9726594 0.73 KDM4E (0.40) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL9726819 0.72 MAPT (0.41) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL9726414 0.72 HMGCR (0.40) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL1507996 0.72 KMT2A (0.54) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL18605681 0.72 CA12 (0.37) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL9726441 0.71 SMN1; SMN2 (0.43) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL9859450 0.70 MAPT (0.53) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL16068658 0.70 MAPT (0.53) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL9855514 0.70 MAPT (0.53) KMT2AMAPTMEN1LMNANPSR1

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