SCHEMBL24729364

SCHEMBL24729364

O=C(O)c1ccc2nc(NC(=O)c3cccc(O)c3)sc2c1

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.81
HSD17B2 P37059 2/20 0.81
HSD17B10 Q99714 1/20 0.69
SNCA P37840 1/20 0.67
SCD O00767 4/20 0.59
LRRK2 Q5S007 1/20 0.59
DYRK1A Q13627 1/20 0.58
HTT P42858 1/20 0.57
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LCK P06239 2/20 0.56
TOP1 P11387 1/20 0.56

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
SCHEMBL29947421 1.00 HSD17B1 (0.81) HSD17B1HSD17B2HSD17B10SNCASCD
SCHEMBL31035 0.90 HSD17B1 (1.00) HSD17B1HSD17B2SNCASCDLRRK2
SCHEMBL24730431 0.87 LRRK2 (0.72) HSD17B1HSD17B2HSD17B10SCDLRRK2
SCHEMBL31398557 0.86 HSD17B10 (0.67) HSD17B1HSD17B2HSD17B10SCDLRRK2
SCHEMBL24729341 0.86 HSD17B10 (0.73) HSD17B1HSD17B10SCDLRRK2HTT
SCHEMBL29947460 0.86 HSD17B10 (0.73) HSD17B1HSD17B10SCDLRRK2HTT
SCHEMBL16554035 0.85 HSD17B1 (0.76) HSD17B1HSD17B2HSD17B10SNCASCD
SCHEMBL24729314 0.84 HSD17B10 (0.61) HSD17B1HSD17B2HSD17B10SCDLRRK2
SCHEMBL29947567 0.84 SCD (0.83) SCDMEN1NPC1RAB9AKMT2A
SCHEMBL24729342 0.84 SCD (0.83) SCDMEN1NPC1RAB9AKMT2A

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-2022240213-A1 NOVEL BENZOTHIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF FOR PREVENTION OR TREATMENT OF LIVER DISEASE 에이치케이이노엔 주식회사 2022-11-17 WO disclosed