SCHEMBL9726592

SCHEMBL9726592

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.38
HSD11B1 P28845 2/20 0.37
NPC1 O15118 2/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
MGAM O43451 1/20 0.35
AMY1A P0DUB6 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
LMNA P02545 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
SCHEMBL9726819 0.81 MAPT (0.41) KDM4ERAB9ASMN1; SMN2TP53HSD11B1
SCHEMBL9726434 0.77 HSD11B1 (0.37) KDM4ERAB9ASMN1; SMN2TP53HSD11B1
SCHEMBL9726661 0.75 HMGCR (0.47) RAB9ASMN1; SMN2HSD11B1USP2HSD17B10
SCHEMBL10610716 0.72 ALDH1A1 (0.48) KDM4EKMT2ALMNAPOLB
SCHEMBL9726666 0.72 HMGCR (0.36) KDM4ERAB9ASMN1; SMN2TP53HSD11B1
SCHEMBL9726659 0.72 HMGCR (0.36) KDM4ERAB9ASMN1; SMN2TP53HSD11B1
SCHEMBL9726610 0.70 HMGCR (0.39) RAB9AHSD11B1NPC1
SCHEMBL9726441 0.69 SMN1; SMN2 (0.43) KDM4ERAB9ASMN1; SMN2TP53NPC1
SCHEMBL9726583 0.67 SMN1; SMN2 (0.38) KDM4ERAB9ASMN1; SMN2TP53NPC1
Hydrochloric Acid SCHEMBL28773484 0.66 FAAH (0.41) KDM4ERAB9ASMN1; SMN2TP53NPC1

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