SCHEMBL24729352

SCHEMBL24729352

O=C(O)c1ccc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.71
RAB9A P51151 5/20 0.71
SMN1; SMN2 Q16637 6/20 0.69
TP53 P04637 5/20 0.69
MITF O75030 1/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
TMPRSS15 P98073 5/20 0.54
MAPK1 P28482 1/20 0.53
MAPT P10636 5/20 0.50
PCSK9 Q8NBP7 1/20 0.50
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.48
NR1H4 Q96RI1 1/20 0.48

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
SCHEMBL29947690 1.00 NPC1 (0.71) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL24729260 0.86 SMN1; SMN2 (0.78) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL29947730 0.86 SMN1; SMN2 (0.78) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL30826524 0.85 TMPRSS15 (0.70) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL24729263 0.85 TP53 (0.66) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL29947574 0.85 TP53 (0.66) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL25411186 0.85 TMPRSS15 (0.70) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL25407237 0.85 TMPRSS15 (0.71) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL30532414 0.85 TMPRSS15 (0.71) NPC1RAB9ASMN1; SMN2TP53MITF
SCHEMBL25411373 0.83 SMN1; SMN2 (0.73) NPC1RAB9ASMN1; SMN2TP53MITF

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