SCHEMBL24729401

SCHEMBL24729401

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.67
HSD17B1 P14061 4/20 0.65
HSD17B2 P37059 3/20 0.65
LRRK2 Q5S007 2/20 0.61
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
ATM Q13315 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.55
GAA P10253 1/20 0.55
SCD O00767 2/20 0.55
HPGD P15428 1/20 0.54

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
SCHEMBL29947521 1.00 HSD17B10 (0.67) HSD17B10HSD17B1HSD17B2LRRK2SMN1; SMN2
SCHEMBL24729347 0.90 HSD17B10 (0.64) HSD17B10HSD17B1HSD17B2LRRK2SMN1; SMN2
SCHEMBL29947591 0.90 HSD17B10 (0.64) HSD17B10HSD17B1HSD17B2LRRK2SMN1; SMN2
SCHEMBL29947688 0.89 HSD17B10 (0.77) HSD17B10HSD17B1HSD17B2LRRK2SMN1; SMN2
SCHEMBL24729349 0.89 HSD17B10 (0.73) HSD17B10HSD17B1HSD17B2LRRK2SMN1; SMN2
SCHEMBL29947652 0.89 HSD17B10 (0.73) HSD17B10HSD17B1HSD17B2LRRK2SMN1; SMN2
SCHEMBL24729308 0.89 HSD17B10 (0.64) HSD17B10HSD17B1HSD17B2LRRK2SMN1; SMN2
SCHEMBL24729258 0.89 HSD17B10 (0.77) HSD17B10HSD17B1HSD17B2LRRK2SMN1; SMN2
SCHEMBL29947487 0.89 HSD17B10 (0.64) HSD17B10HSD17B1HSD17B2LRRK2SMN1; SMN2
SCHEMBL24729531 0.89 HSD17B10 (0.66) HSD17B10HSD17B1HSD17B2LRRK2SMN1; 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 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