SCHEMBL29947660

SCHEMBL29947660

O=C(O)c1ccc2nc(NC(=O)c3ccc(F)c(Cl)n3)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.62
LRRK2 Q5S007 2/20 0.60
HSD17B1 P14061 3/20 0.55
HSD17B2 P37059 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MMP13 P45452 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
AGTR1 P30556 1/20 0.50
OPRK1 P41145 1/20 0.50
HTT P42858 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50

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
SCHEMBL24729444 1.00 HSD17B10 (0.62) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL24729525 0.91 HSD17B10 (0.53) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL29947517 0.91 HSD17B10 (0.53) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL29947706 0.86 HSD17B10 (0.62) HSD17B10LRRK2SMN1; SMN2NPC1RAB9A
SCHEMBL24729511 0.86 HSD17B10 (0.62) HSD17B10LRRK2SMN1; SMN2NPC1RAB9A
SCHEMBL24729258 0.85 HSD17B10 (0.77) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL29947688 0.85 HSD17B10 (0.77) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL24729401 0.83 HSD17B10 (0.67) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL29947521 0.83 HSD17B10 (0.67) HSD17B10LRRK2HSD17B1HSD17B2SMN1; SMN2
SCHEMBL24729349 0.83 HSD17B10 (0.73) 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