SCHEMBL29947652

SCHEMBL29947652

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.73
LRRK2 Q5S007 2/20 0.61
HSD17B1 P14061 2/20 0.58
HSD17B2 P37059 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
ATM Q13315 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 1/20 0.52
SCD O00767 1/20 0.52
KMT2A Q03164 1/20 0.52
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 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
SCHEMBL24729349 1.00 HSD17B10 (0.73) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL24729258 0.91 HSD17B10 (0.77) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL29947688 0.91 HSD17B10 (0.77) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL29947521 0.89 HSD17B10 (0.67) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL24729232 0.89 HSD17B10 (0.82) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL24729401 0.89 HSD17B10 (0.67) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL29947591 0.87 HSD17B10 (0.64) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL24729347 0.87 HSD17B10 (0.64) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL24729308 0.86 HSD17B10 (0.64) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL29947487 0.86 HSD17B10 (0.64) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2

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 2 patents. 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 claimed
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