SCHEMBL8775133

SCHEMBL8775133

CCCCCc1ccc(-c2ccc(C#Cc3cnc(F)c(F)c3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
RARB P10826 8/20 0.45
RARA P10276 2/20 0.45
RARG P13631 1/20 0.45
MAPT P10636 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.40
MTOR P42345 1/20 0.39
HTR2A P28223 1/20 0.39
NPC1 O15118 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
SCHEMBL8774460 0.96 HSD17B10 (0.43) HSD17B10TSHRRARBRARARARG
SCHEMBL8774719 0.95 HSD17B10 (0.44) HSD17B10TSHRRARBRARARARG
SCHEMBL8774677 0.92 FFAR1 (0.43) HSD17B10TSHRMAPTRAB9AMEN1
SCHEMBL8774819 0.91 FFAR1 (0.43) HSD17B10TSHRRARBRARARARG
SCHEMBL8774897 0.86 FFAR1 (0.45) HSD17B10RAB9ASMN1; SMN2FFAR1NPC1
SCHEMBL8774517 0.85 EGLN1 (0.44) FFAR1MTOR
SCHEMBL8774269 0.84 RARB (0.55) HSD17B10TSHRRARBRARARARG
SCHEMBL8774355 0.84 RARB (0.55) HSD17B10TSHRRARBRARARARG
SCHEMBL9156046 0.83 HSD17B10 (0.52) HSD17B10TSHRRARBRARARARG
SCHEMBL8774557 0.82 RARB (0.57) 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