SCHEMBL29947347

SCHEMBL29947347

O=C(O)c1ccc2nc(NC(=O)c3cc(F)cc(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 0.57
RAF1 P04049 1/20 0.52
BRAF P15056 1/20 0.52
KCNH2 Q12809 1/20 0.52
DYRK1A Q13627 1/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MEN1 O00255 1/20 0.52
SCD O00767 1/20 0.52
KMT2A Q03164 1/20 0.52
MAP3K5 Q99683 1/20 0.51
HSD17B1 P14061 2/20 0.50
KDM4E B2RXH2 2/20 0.50
RXFP1 Q9HBX9 2/20 0.50
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HSD17B2 P37059 1/20 0.50

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
SCHEMBL24729375 1.00 HSD17B10 (0.57) HSD17B10LRRK2RAF1BRAFKCNH2
SCHEMBL24729270 0.93 HSD17B10 (0.61) HSD17B10LRRK2RAF1BRAFKCNH2
SCHEMBL29947498 0.93 HSD17B10 (0.61) HSD17B10LRRK2RAF1BRAFKCNH2
SCHEMBL29947379 0.90 HSD17B10 (0.65) HSD17B10LRRK2DYRK1ANPC1RAB9A
SCHEMBL24729223 0.90 HSD17B10 (0.65) HSD17B10LRRK2DYRK1ANPC1RAB9A
SCHEMBL24729506 0.89 HSD17B10 (0.63) HSD17B10LRRK2RAF1BRAFKCNH2
SCHEMBL29947687 0.89 HSD17B10 (0.63) HSD17B10LRRK2RAF1BRAFKCNH2
SCHEMBL24729509 0.85 HSD17B10 (0.53) HSD17B10LRRK2RAF1BRAFKCNH2
SCHEMBL24729278 0.85 KMT2A (0.61) HSD17B10RAF1BRAFKCNH2NPC1
SCHEMBL29947338 0.85 HSD17B10 (0.53) HSD17B10LRRK2RAF1BRAFKCNH2

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