SCHEMBL24729307

SCHEMBL24729307

O=C(O)c1ccc2nc(NC(=O)c3ccnc(F)c3)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.64
LRRK2 Q5S007 2/20 0.57
HSD17B1 P14061 3/20 0.56
HSD17B2 P37059 2/20 0.56
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
TDP1 Q9NUW8 4/20 0.54
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
KLK7 P49862 1/20 0.54
RXFP1 Q9HBX9 2/20 0.53
ATM Q13315 1/20 0.53
HTT P42858 3/20 0.53
SCD O00767 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 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
SCHEMBL24729234 0.88 HSD17B10 (0.65) HSD17B10LRRK2HSD17B1HSD17B2NPC1
SCHEMBL24729343 0.86 HSD17B10 (0.64) HSD17B10NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL29947355 0.86 HSD17B10 (0.64) HSD17B10NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL29947449 0.86 HSD17B10 (0.64) HSD17B10LRRK2HSD17B1HSD17B2NPC1
SCHEMBL24729286 0.86 HSD17B10 (0.64) HSD17B10LRRK2HSD17B1HSD17B2NPC1
SCHEMBL24729309 0.86 HSD17B10 (0.70) HSD17B10LRRK2HSD17B1HSD17B2NPC1
SCHEMBL24729279 0.86 HSD17B10 (0.64) HSD17B10LRRK2HSD17B1HSD17B2NPC1
SCHEMBL24729312 0.86 HSD17B10 (0.64) HSD17B10LRRK2HSD17B1HSD17B2NPC1
SCHEMBL29947508 0.86 HSD17B10 (0.64) HSD17B10LRRK2HSD17B1HSD17B2NPC1
SCHEMBL29947525 0.86 HSD17B10 (0.64) HSD17B10LRRK2HSD17B1HSD17B2NPC1

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