SCHEMBL29947783

SCHEMBL29947783

O=C(O)c1ccc2nc(NC(=O)c3ccc(C(F)(F)F)[nH]3)sc2c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.54
LRRK2 Q5S007 3/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
DYRK1A Q13627 1/20 0.49
SCD O00767 2/20 0.48
MAP3K5 Q99683 1/20 0.48
HTT P42858 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B1 P14061 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
SCHEMBL24729225 1.00 HSD17B10 (0.54) HSD17B10LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL24729463 0.86 HSD17B10 (0.61) HSD17B10LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL29947440 0.86 HSD17B10 (0.61) HSD17B10LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL29947460 0.81 HSD17B10 (0.73) HSD17B10LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL24729341 0.81 HSD17B10 (0.73) HSD17B10LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL24729345 0.80 HSD17B10 (0.56) HSD17B10LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL29947587 0.80 HSD17B10 (0.56) HSD17B10LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL24729270 0.80 HSD17B10 (0.61) HSD17B10LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL29947498 0.80 HSD17B10 (0.61) HSD17B10LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL24729344 0.79 NPC1 (0.67) HSD17B10LRRK2NPC1RAB9ASMN1; 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