SCHEMBL8774819

SCHEMBL8774819

CCCc1ccc(-c2ccc(C#Cc3cnc(F)c(F)c3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.43
HSD17B10 Q99714 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACACB O00763 5/20 0.36
TSHR P16473 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35
MAPT P10636 1/20 0.35
GFER P55789 1/20 0.35
RARB P10826 2/20 0.34
MCL1 Q07820 1/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
MCHR1 Q99705 2/20 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
SCHEMBL8774897 0.96 FFAR1 (0.45) FFAR1HSD17B10NPC1RAB9ATP53
SCHEMBL8774460 0.92 HSD17B10 (0.43) FFAR1HSD17B10NPC1RAB9ATP53
SCHEMBL8775133 0.91 HSD17B10 (0.49) FFAR1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL8774517 0.89 EGLN1 (0.44) FFAR1ACACBEGLN1
SCHEMBL8774677 0.87 FFAR1 (0.43) FFAR1HSD17B10RAB9APKMSMN1; SMN2
SCHEMBL8774719 0.85 HSD17B10 (0.44) FFAR1HSD17B10RAB9ATP53SMN1; SMN2
SCHEMBL8774154 0.84 EGLN1 (0.47) FFAR1ACACBEGLN1
SCHEMBL8775052 0.82 RAB9A (0.48) HSD17B10NPC1RAB9ATP53PKM
SCHEMBL8774871 0.82 RAB9A (0.48) HSD17B10NPC1RAB9ATP53PKM
SCHEMBL9154491 0.81 GRM5 (0.44) FFAR1HSD17B10NPC1RAB9ATP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed