SCHEMBL24729342

SCHEMBL24729342

COc1cccc(C(=O)Nc2nc3ccc(C(=O)O)cc3s2)c1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 14/20 0.83
NPC1 O15118 6/20 0.76
RAB9A P51151 6/20 0.76
KMT2A Q03164 6/20 0.76
MEN1 O00255 5/20 0.76
DHODH Q02127 1/20 0.76
KDM4E B2RXH2 1/20 0.66
ALDH1A1 P00352 1/20 0.66
HPGD P15428 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 1/20 0.64

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
SCHEMBL29947567 1.00 SCD (0.83) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL31065 0.91 SCD (1.00) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL16742048 0.88 SCD (0.85) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL13561185 0.87 SCD (0.83) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL3405017 0.87 SCD (0.83) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL4916511 0.86 NPC1 (1.00) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL16554145 0.86 SCD (0.88) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL4912951 0.85 SCD (1.00) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL29947616 0.84 KDM4E (0.75) SCDNPC1RAB9AKMT2AMEN1
SCHEMBL24729350 0.84 KDM4E (0.75) SCDNPC1RAB9AKMT2AMEN1

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