SCHEMBL8774897

SCHEMBL8774897

CCCc1ccc(C#Cc2cnc(F)c(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.45
ACACB O00763 6/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EGLN1 Q9GZT9 1/20 0.37
GRM5 P41594 1/20 0.35

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
SCHEMBL8774819 0.96 FFAR1 (0.43) FFAR1ACACBNPC1TP53PKM
SCHEMBL8774677 0.91 FFAR1 (0.43) FFAR1ACACBPKMRAB9ASMN1; SMN2
SCHEMBL8774719 0.89 HSD17B10 (0.44) FFAR1TP53RAB9ASMN1; SMN2HSD17B10
SCHEMBL8774154 0.88 EGLN1 (0.47) FFAR1ACACBEGLN1GRM5
SCHEMBL8774460 0.88 HSD17B10 (0.43) FFAR1NPC1TP53PKMRAB9A
SCHEMBL8775133 0.86 HSD17B10 (0.49) FFAR1NPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL8774517 0.84 EGLN1 (0.44) FFAR1ACACBEGLN1GRM5
SCHEMBL8774634 0.81 KDM4E (0.43) ACACBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL8774528 0.81 ACACB (0.42) ACACBNPC1RAB9ASMN1; SMN2
SCHEMBL8774215 0.80 ACACB (0.44) ACACB

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