SCHEMBL24729344

SCHEMBL24729344

O=C(O)c1ccc2nc(NC(=O)c3ccncc3)sc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.67
RAB9A P51151 5/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
HSD17B10 Q99714 1/20 0.67
MCL1 Q07820 1/20 0.67
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
KDM4E B2RXH2 1/20 0.62
ATM Q13315 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MAPT P10636 2/20 0.61
LRRK2 Q5S007 2/20 0.60
SCD O00767 3/20 0.59
HTT P42858 2/20 0.58
USP2 O75604 1/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 1/20 0.58
ABL1 P00519 1/20 0.56

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
SCHEMBL24729341 0.92 HSD17B10 (0.73) NPC1RAB9AMEN1KMT2AHSD17B10
SCHEMBL29947460 0.92 HSD17B10 (0.73) NPC1RAB9AMEN1KMT2AHSD17B10
SCHEMBL24729361 0.90 NPC1 (0.61) NPC1RAB9AMEN1KMT2AHSD17B10
SCHEMBL12717675 0.87 NPC1 (0.81) NPC1RAB9AMEN1KMT2AHSD17B10
SCHEMBL14807662 0.87 MAP3K5 (0.70) NPC1RAB9AMEN1KMT2AHSD17B10
SCHEMBL24729229 0.86 HSD17B10 (0.63) NPC1RAB9AMEN1KMT2AHSD17B10
SCHEMBL24729560 0.86 HSD17B10 (0.65) NPC1RAB9AMEN1KMT2AHSD17B10
SCHEMBL29947467 0.85 SCD (0.72) NPC1RAB9AMEN1KMT2AHSD17B10
SCHEMBL24729555 0.85 SCD (0.72) NPC1RAB9AMEN1KMT2AHSD17B10
SCHEMBL24729463 0.85 HSD17B10 (0.61) NPC1RAB9AMEN1KMT2AHSD17B10

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