SCHEMBL9726583

SCHEMBL9726583

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ELANE P08246 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CASP3 P42574 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 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
SCHEMBL9726597 0.86 ELANE (0.39) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL9726819 0.86 MAPT (0.41) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL9726520 0.84 ADORA2A (0.39) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL9726441 0.84 SMN1; SMN2 (0.43) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL9726580 0.79 SMN1; SMN2 (0.41) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL9726796 0.76 HMGCR (0.32) SMN1; SMN2RAB9A
SCHEMBL9726744 0.74 ESR2 (0.33) SMN1; SMN2RAB9A
SCHEMBL9726863 0.74 HMGCR (0.42) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL9726865 0.74 HMGCR (0.42) SMN1; SMN2MAPTMEN1KMT2AKDM4E
SCHEMBL9726429 0.73 HMGCR (0.48) SMN1; SMN2MAPTLMNAMEN1KMT2A

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