SCHEMBL29947355

SCHEMBL29947355

Cc1cc(C(=O)Nc2nc3ccc(C(=O)O)cc3s2)ccn1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.64
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.59
TDP1 Q9NUW8 3/20 0.59
HPGD P15428 3/20 0.59
KLK7 P49862 1/20 0.59
HTT P42858 1/20 0.55
LCK P06239 5/20 0.55
MAP3K5 Q99683 1/20 0.54
SCD O00767 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
RXFP1 Q9HBX9 2/20 0.53
ATM Q13315 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL24729343 1.00 HSD17B10 (0.64) HSD17B10SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL24729221 0.86 HSD17B10 (0.61) HSD17B10SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL24729312 0.86 HSD17B10 (0.64) HSD17B10SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL29947449 0.86 HSD17B10 (0.64) HSD17B10SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL29947525 0.86 HSD17B10 (0.64) HSD17B10SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL24729279 0.86 HSD17B10 (0.64) HSD17B10SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL24729307 0.86 HSD17B10 (0.64) HSD17B10SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL24729309 0.86 HSD17B10 (0.70) HSD17B10SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL24729286 0.86 HSD17B10 (0.64) HSD17B10SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL29947508 0.86 HSD17B10 (0.64) HSD17B10SMN1; SMN2NPC1RAB9AKDM4E

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