SCHEMBL8774909

SCHEMBL8774909

CCCCCc1ccc(-c2ccc(C#Cc3cc(F)c(F)nc3F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
RARB P10826 9/20 0.44
RARA P10276 2/20 0.44
RARG P13631 1/20 0.44
FFAR1 O14842 1/20 0.40
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MTOR P42345 1/20 0.38
HTR2A P28223 1/20 0.38
KDM4E B2RXH2 2/20 0.36
RAB9A P51151 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL8774912 0.96 TSHR (0.43) HSD17B10TSHRRARBRARARARG
SCHEMBL8774374 0.96 FFAR1 (0.42) HSD17B10TSHRRARBRARARARG
SCHEMBL8774302 0.95 HSD17B10 (0.43) HSD17B10TSHRRARBRARARARG
SCHEMBL8774821 0.92 FFAR1 (0.43) HSD17B10TSHRRARBRARARARG
SCHEMBL8774994 0.91 FFAR1 (0.42) HSD17B10TSHRRARBRARARARG
SCHEMBL8774295 0.87 FFAR1 (0.44) FFAR1
SCHEMBL8774750 0.85 FFAR1 (0.38) RARBRARARARGFFAR1RAB9A
SCHEMBL8774475 0.85 FFAR1 (0.40) HSD17B10TSHRRARBRARARARG
SCHEMBL8775170 0.84 CYP2D6 (0.46) HSD17B10RARBRARAALDH1A1MAPT
SCHEMBL9156038 0.84 HSD17B10 (0.49) HSD17B10TSHRRARBRARARARG

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