SCHEMBL29947609

SCHEMBL29947609

O=C(O)c1ccc2nc(N3CCC(C(=O)NCCn4cccc4)CC3)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.59
RAB9A P51151 7/20 0.59
NPC1 O15118 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MITF O75030 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
MAPT P10636 5/20 0.55
TMPRSS15 P98073 1/20 0.49
POLB P06746 2/20 0.49

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
SCHEMBL24729562 1.00 TP53 (0.59) TP53RAB9ANPC1SMN1; SMN2MITF
SCHEMBL24729434 0.89 TP53 (0.56) TP53RAB9ANPC1SMN1; SMN2MITF
SCHEMBL29947491 0.89 TP53 (0.56) TP53RAB9ANPC1SMN1; SMN2MITF
SCHEMBL29947586 0.86 TP53 (0.62) TP53RAB9ANPC1SMN1; SMN2MITF
SCHEMBL24729389 0.86 TP53 (0.62) TP53RAB9ANPC1SMN1; SMN2MITF
SCHEMBL24729263 0.84 TP53 (0.66) TP53RAB9ANPC1SMN1; SMN2MITF
SCHEMBL29947574 0.84 TP53 (0.66) TP53RAB9ANPC1SMN1; SMN2MITF
SCHEMBL25411186 0.81 TMPRSS15 (0.70) TP53RAB9ANPC1SMN1; SMN2MITF
SCHEMBL30826524 0.81 TMPRSS15 (0.70) TP53RAB9ANPC1SMN1; SMN2MITF
SCHEMBL24729365 0.80 TP53 (0.60) TP53RAB9ANPC1SMN1; SMN2MITF

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