SCHEMBL24730431

SCHEMBL24730431

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.72
HSD17B10 Q99714 1/20 0.65
HTT P42858 4/20 0.64
MAPT P10636 2/20 0.64
LMNA P02545 1/20 0.62
HSD17B1 P14061 2/20 0.61
HSD17B2 P37059 2/20 0.61
SCD O00767 4/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
KDM4E B2RXH2 2/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
POLB P06746 1/20 0.55
PKM P14618 1/20 0.55
AGTR1 P30556 1/20 0.55

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
SCHEMBL29947379 0.89 HSD17B10 (0.65) LRRK2HSD17B10HTTHSD17B1HSD17B2
SCHEMBL24729223 0.89 HSD17B10 (0.65) LRRK2HSD17B10HTTHSD17B1HSD17B2
SCHEMBL29947421 0.87 HSD17B1 (0.81) LRRK2HSD17B10HTTHSD17B1HSD17B2
SCHEMBL24729364 0.87 HSD17B1 (0.81) LRRK2HSD17B10HTTHSD17B1HSD17B2
SCHEMBL13329184 0.87 HSD17B1 (0.81) LRRK2HTTMAPTLMNAHSD17B1
SCHEMBL12199320 0.87 HSD17B1 (0.81) LRRK2HTTMAPTLMNAHSD17B1
SCHEMBL12199338 0.86 HPGDS (0.69) LRRK2HSD17B10HTTMAPTLMNA
SCHEMBL13329187 0.86 HPGDS (0.69) LRRK2HSD17B10HTTMAPTLMNA
SCHEMBL5445832 0.86 HPGDS (0.69) LRRK2HTTMAPTLMNAHSD17B1
SCHEMBL24729401 0.85 HSD17B10 (0.67) LRRK2HSD17B10HTTMAPTHSD17B1

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