SCHEMBL9766618

SCHEMBL9766618

CCCCc1ccc(-c2ccc(C#Cc3ccc(F)nc3)cc2)cc1.CCCc1ccc(-c2ccc(C#Cc3ccc(F)nc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
GRM5 P41594 1/20 0.41
FFAR1 O14842 2/20 0.39
RARB P10826 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
MAPK1 P28482 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL9158502 0.97 HSD17B10 (0.47) HSD17B10TSHRGRM5FFAR1RARB
SCHEMBL9154491 0.94 GRM5 (0.44) HSD17B10TSHRGRM5FFAR1RAB9A
SCHEMBL9156046 0.93 HSD17B10 (0.52) HSD17B10TSHRGRM5FFAR1RARB
SCHEMBL9158558 0.93 GRM5 (0.46) HSD17B10TSHRGRM5FFAR1RAB9A
SCHEMBL9159008 0.90 GRM5 (0.48) GRM5FFAR1ACACB
SCHEMBL9162555 0.89 HSD17B10 (0.45) HSD17B10TSHRGRM5FFAR1RAB9A
SCHEMBL9766678 0.88 HSD17B10 (0.42) HSD17B10TSHRGRM5FFAR1RAB9A
SCHEMBL9158759 0.87 HSD17B10 (0.48) HSD17B10TSHRGRM5FFAR1RAB9A
SCHEMBL9766704 0.84 RAB9A (0.50) HSD17B10TSHRRARBRAB9ASMN1; SMN2
SCHEMBL9154247 0.83 GRM5 (0.47) GRM5FFAR1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0445248-A1 PYRIDINE DERIVATIVES. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed