SCHEMBL9726434

SCHEMBL9726434

Cn1nnc(C(C=O)=C(c2ccc(F)cc2)c2ccc(F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HMGCR P04035 1/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 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
SCHEMBL9726659 0.86 HMGCR (0.36) HSD11B1KDM4EHMGCRRAB9ASMN1; SMN2
SCHEMBL9726666 0.86 HMGCR (0.36) HSD11B1KDM4EHMGCRRAB9ASMN1; SMN2
SCHEMBL9726796 0.83 HMGCR (0.32) HMGCRRAB9ASMN1; SMN2
SCHEMBL9726424 0.83 HMGCR (0.36) HMGCRRAB9ASMN1; SMN2ATMNPC1
SCHEMBL9726403 0.83 TRPM8 (0.42) HMGCRRAB9ASMN1; SMN2TP53NPC1
SCHEMBL9726578 0.77 MGAM (0.32) HSD11B1HMGCRNPC1
SCHEMBL9726592 0.77 KDM4E (0.39) HSD11B1KDM4ERAB9ASMN1; SMN2TP53
SCHEMBL9726603 0.76 HSD17B10 (0.38) KDM4ERAB9ASMN1; SMN2TP53NPC1
SCHEMBL9726533 0.75 HMGCR (0.55) HMGCRTP53ATMUSP2HSD17B10
SCHEMBL9726819 0.73 MAPT (0.41) HSD11B1KDM4ERAB9ASMN1; SMN2TP53

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