SCHEMBL24729314

SCHEMBL24729314

N#Cc1cccc(C(=O)Nc2nc3ccc(C(=O)O)cc3s2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.61
HSD17B1 P14061 1/20 0.58
HSD17B2 P37059 1/20 0.58
SCD O00767 5/20 0.56
DYRK1A Q13627 1/20 0.56
LRRK2 Q5S007 1/20 0.55
HTT P42858 1/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
HPGD P15428 1/20 0.52
KLK7 P49862 1/20 0.52
ATM Q13315 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
DHODH Q02127 1/20 0.51

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
SCHEMBL24729512 0.89 HSD17B10 (0.63) HSD17B10HSD17B1SCDDYRK1ALRRK2
SCHEMBL29947777 0.89 HSD17B10 (0.63) HSD17B10HSD17B1SCDDYRK1ALRRK2
SCHEMBL31219293 0.87 HSD17B1 (0.58) HSD17B1HSD17B2SCDDYRK1ALRRK2
SCHEMBL22130145 0.87 HSD17B1 (0.58) HSD17B1HSD17B2SCDDYRK1ALRRK2
SCHEMBL6229783 0.87 RAB9A (0.62) HSD17B10HSD17B1HSD17B2SCDDYRK1A
SCHEMBL6228762 0.86 SCD (0.68) HSD17B1HSD17B2SCDHTTNPC1
SCHEMBL24729505 0.86 HSD17B10 (0.57) HSD17B10HSD17B1SCDDYRK1ALRRK2
SCHEMBL31637674 0.85 HSD17B10 (0.61) HSD17B10DYRK1AHTTNPC1RAB9A
SCHEMBL24729364 0.84 HSD17B1 (0.81) HSD17B10HSD17B1HSD17B2SCDDYRK1A
SCHEMBL29947421 0.84 HSD17B1 (0.81) HSD17B10HSD17B1HSD17B2SCDDYRK1A

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