SCHEMBL9766638

SCHEMBL9766638

CCCCCc1ccc(-c2ccc(C#Cc3ccc(F)nc3F)cc2)cc1.CCCCc1ccc(-c2ccc(C#Cc3ccc(F)nc3F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.48
TSHR P16473 2/20 0.48
RARB P10826 8/20 0.39
RARA P10276 2/20 0.39
RARG P13631 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MTOR P42345 1/20 0.38
RAB9A P51151 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HSD11B1 P28845 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 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
SCHEMBL9156038 0.99 HSD17B10 (0.49) HSD17B10TSHRRARBRARARARG
SCHEMBL9155712 0.97 TSHR (0.43) HSD17B10TSHRRARBRARARARG
SCHEMBL9158620 0.95 HSD17B10 (0.42) HSD17B10TSHRALDH1A1KDM4ETP53
SCHEMBL9157598 0.94 HSD17B10 (0.44) HSD17B10TSHRALDH1A1KDM4ETP53
SCHEMBL9153691 0.94 FFAR1 (0.39) HSD17B10TSHRALDH1A1RAB9ASMN1; SMN2
SCHEMBL9158563 0.90 FFAR1 (0.38) HSD17B10TSHRMAPTRAB9ANPC1
SCHEMBL9766633 0.89 HSD17B10 (0.39) HSD17B10TSHRALDH1A1KDM4ETP53
SCHEMBL9874595 0.89 HSD17B10 (0.39) HSD17B10TSHRRARBRARARARG
SCHEMBL9766643 0.86 FFAR1 (0.36) HSD17B10TSHRFFAR1
SCHEMBL9158273 0.85 FFAR1 (0.40) FFAR1

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