SCHEMBL24729561

SCHEMBL24729561

O=C(O)c1ccc2sc(NC(=O)c3cncc(Cl)c3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.55
LRRK2 Q5S007 1/20 0.49
SCD O00767 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HCAR2 Q8TDS4 1/20 0.48
MMP13 P45452 1/20 0.46

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
SCHEMBL24729453 0.91 HSD17B10 (0.67) HSD17B10LRRK2SCDNPC1RAB9A
SCHEMBL24730598 0.86 NPC1 (0.53) HSD17B10LRRK2SCDNPC1RAB9A
SCHEMBL24729426 0.82 SCD (0.72) HSD17B10SCDNPC1RAB9ASMN1; SMN2
SCHEMBL24729361 0.82 NPC1 (0.61) HSD17B10SCDNPC1RAB9ASMN1; SMN2
SCHEMBL24729256 0.81 HSD17B10 (0.56) HSD17B10SCDNPC1RAB9ASMN1; SMN2
SCHEMBL24729530 0.79 HSD17B10 (0.57) HSD17B10LRRK2SCDNPC1RAB9A
SCHEMBL29947596 0.78 HSD17B10 (0.52) HSD17B10LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL24729525 0.78 HSD17B10 (0.53) HSD17B10LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL29947517 0.78 HSD17B10 (0.53) HSD17B10LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL24729370 0.77 NPC1 (0.53) HSD17B10LRRK2SCDNPC1RAB9A

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