SCHEMBL9874595

SCHEMBL9874595

CCCCCc1ccc(C#Cc2ccc(Cl)nc2F)cc1.CCCCc1ccc(C#Cc2ccc(Cl)nc2F)cc1.CCCc1ccc(C#Cc2ccc(Cl)nc2F)cc1.CCc1ccc(-c2ccc(C#Cc3ccc(F)nc3F)cc2)cc1.CCc1ccc(C#Cc2ccc(Cl)nc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
RARB P10826 8/20 0.32
RARA P10276 2/20 0.32
RARG P13631 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
FFAR1 O14842 2/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
MTOR P42345 1/20 0.31
HSD11B1 P28845 2/20 0.31
CTRC Q99895 1/20 0.31
KDM4E B2RXH2 2/20 0.30
RAB9A P51151 2/20 0.30
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9766633 0.90 HSD17B10 (0.39) HSD17B10TSHRFFAR1ALDH1A1KDM4E
SCHEMBL9766638 0.89 HSD17B10 (0.48) HSD17B10TSHRRARBRARARARG
SCHEMBL9156038 0.87 HSD17B10 (0.49) HSD17B10TSHRRARBRARARARG
SCHEMBL9766643 0.87 FFAR1 (0.36) HSD17B10TSHRFFAR1
SCHEMBL9155712 0.86 TSHR (0.43) HSD17B10TSHRRARBRARARARG
SCHEMBL9158452 0.86 HSD17B10 (0.40) HSD17B10TSHRFFAR1ALDH1A1KDM4E
SCHEMBL9155417 0.85 FFAR1 (0.39) HSD17B10TSHRFFAR1CTRC
SCHEMBL9158620 0.84 HSD17B10 (0.42) HSD17B10TSHRFFAR1ALDH1A1KDM4E
SCHEMBL9158563 0.84 FFAR1 (0.38) HSD17B10TSHRFFAR1MAPTRAB9A
SCHEMBL9157598 0.83 HSD17B10 (0.44) HSD17B10TSHRFFAR1ALDH1A1KDM4E

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
WO-1991004248-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO disclosed