SCHEMBL24729258

SCHEMBL24729258

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.77
LRRK2 Q5S007 2/20 0.64
HSD17B1 P14061 3/20 0.61
HSD17B2 P37059 3/20 0.61
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 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
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
RAB9A P51151 1/20 0.53
ATM Q13315 1/20 0.53

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
SCHEMBL29947688 1.00 HSD17B10 (0.77) HSD17B10LRRK2HSD17B1HSD17B2TAS1R3
SCHEMBL24729349 0.91 HSD17B10 (0.73) HSD17B10LRRK2HSD17B1HSD17B2CASP3
SCHEMBL29947652 0.91 HSD17B10 (0.73) HSD17B10LRRK2HSD17B1HSD17B2CASP3
SCHEMBL29947521 0.89 HSD17B10 (0.67) HSD17B10LRRK2HSD17B1HSD17B2MEN1
SCHEMBL24729232 0.89 HSD17B10 (0.82) HSD17B10LRRK2HSD17B1HSD17B2CASP3
SCHEMBL24729401 0.89 HSD17B10 (0.67) HSD17B10LRRK2HSD17B1HSD17B2MEN1
SCHEMBL29947458 0.86 HSD17B10 (0.77) HSD17B10MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL24729471 0.86 HSD17B10 (0.77) HSD17B10MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL24729462 0.85 HSD17B10 (0.72) HSD17B10LRRK2HSD17B1HSD17B2MMP13
SCHEMBL29947530 0.85 HSD17B10 (0.72) HSD17B10LRRK2HSD17B1HSD17B2MMP13

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