SCHEMBL9726819

SCHEMBL9726819

CCOC(=O)C(=C(c1ccc(F)cc1)c1ccc(F)cc1)c1nnn(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 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
SMN1; SMN2 Q16637 3/20 0.40
ELANE P08246 1/20 0.40
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 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
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL9726441 0.88 SMN1; SMN2 (0.43) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL9726583 0.86 SMN1; SMN2 (0.38) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL9726520 0.86 ADORA2A (0.39) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL9726592 0.81 KDM4E (0.39) KMT2ALMNASMN1; SMN2RAB9AKDM4E
SCHEMBL9726597 0.81 ELANE (0.39) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL9726580 0.81 SMN1; SMN2 (0.41) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL9726429 0.79 HMGCR (0.48) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL9726594 0.76 KDM4E (0.40) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL9726414 0.75 HMGCR (0.40) MAPTKMT2ALMNAMEN1NPSR1
SCHEMBL9726434 0.73 HSD11B1 (0.37) KMT2ASMN1; SMN2RAB9AKDM4EHSD11B1

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