SCHEMBL24729237

SCHEMBL24729237

O=C(O)c1ccc2nc(NC(=O)c3cncc(C(F)(F)F)c3)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.57
LRRK2 Q5S007 3/20 0.53
PIK3CD O00329 1/20 0.52
DYRK1A Q13627 1/20 0.52
MAP3K5 Q99683 1/20 0.51
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.49
CSNK1D P48730 1/20 0.48
SCD O00767 1/20 0.48
RAF1 P04049 1/20 0.48
BRAF P15056 1/20 0.48
KCNH2 Q12809 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL29947585 1.00 HSD17B10 (0.57) HSD17B10LRRK2PIK3CDDYRK1AMAP3K5
SCHEMBL24729270 0.89 HSD17B10 (0.61) HSD17B10LRRK2DYRK1AMAP3K5KDM4E
SCHEMBL29947498 0.89 HSD17B10 (0.61) HSD17B10LRRK2DYRK1AMAP3K5KDM4E
SCHEMBL29947647 0.88 PIK3CD (0.50) HSD17B10PIK3CDDYRK1AKDM4ENPC1
SCHEMBL24729325 0.88 PIK3CD (0.50) HSD17B10PIK3CDDYRK1AKDM4ENPC1
SCHEMBL24729230 0.87 MAP3K5 (0.65) HSD17B10LRRK2PIK3CDDYRK1AMAP3K5
SCHEMBL24729322 0.85 HSD17B10 (0.60) HSD17B10LRRK2KDM4ENPC1ALDH1A1
SCHEMBL24729375 0.85 HSD17B10 (0.57) HSD17B10LRRK2DYRK1AMAP3K5KDM4E
SCHEMBL24729506 0.85 HSD17B10 (0.63) HSD17B10LRRK2DYRK1AMAP3K5CSNK1D
SCHEMBL29947347 0.85 HSD17B10 (0.57) HSD17B10LRRK2DYRK1AMAP3K5KDM4E

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