SCHEMBL24729232

SCHEMBL24729232

O=C(O)c1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.82
LRRK2 Q5S007 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 2/20 0.56
RAB9A P51151 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ATM Q13315 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
HTT P42858 1/20 0.56
HSD17B1 P14061 1/20 0.54
HSD17B2 P37059 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
MMP13 P45452 1/20 0.54
HPGD P15428 1/20 0.54
KLK7 P49862 1/20 0.54

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
SCHEMBL24729349 0.89 HSD17B10 (0.73) HSD17B10LRRK2SMN1; SMN2KDM4ENPC1
SCHEMBL29947458 0.89 HSD17B10 (0.77) HSD17B10SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL29947652 0.89 HSD17B10 (0.73) HSD17B10LRRK2SMN1; SMN2KDM4ENPC1
SCHEMBL24729471 0.89 HSD17B10 (0.77) HSD17B10SMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL29947688 0.89 HSD17B10 (0.77) HSD17B10LRRK2SMN1; SMN2KDM4ENPC1
SCHEMBL24729258 0.89 HSD17B10 (0.77) HSD17B10LRRK2SMN1; SMN2KDM4ENPC1
SCHEMBL29947460 0.87 HSD17B10 (0.73) HSD17B10LRRK2SMN1; SMN2KDM4ENPC1
SCHEMBL24729341 0.87 HSD17B10 (0.73) HSD17B10LRRK2SMN1; SMN2KDM4ENPC1
SCHEMBL24729394 0.86 HSD17B10 (0.69) HSD17B10LRRK2SMN1; SMN2KDM4ENPC1
SCHEMBL24729462 0.86 HSD17B10 (0.72) HSD17B10LRRK2SMN1; SMN2KDM4ENPC1

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