SCHEMBL28345012

SCHEMBL28345012

Nc1nc(-c2ccccc2S)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.42
MEN1 O00255 1/20 0.42
PSMD14 O00487 1/20 0.42
PRKACA P17612 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 2/20 0.41
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
STAT6 P42226 1/20 0.38

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
SCHEMBL14471468 0.82 HSP90AA1 (0.43) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL13398588 0.82 HSD17B10 (0.47) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL994671 0.82 MPL (0.44) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL7014963 0.82 HSD17B10 (0.44) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL2312779 0.81 EIF4E (0.44) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL4059206 0.78 MEN1 (0.52) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL28345040 0.75 ADORA2A (0.36) MEN1KMT2AGAAL3MBTL1ALDH1A1
Benzene SCHEMBL6392611 0.74 TDP1 (0.40) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL21623742 0.73 TDP1 (0.42) CASP6MEN1PSMD14PRKACAKMT2A
SCHEMBL4050005 0.73 ADORA2A (0.47) MEN1KMT2AALDH1A1HSD17B10POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118059093-A Inhibitors of short chain dehydrogenase activity for the treatment of fibrosis 卡斯西部储备大学 2024-05-24 CN disclosed
CN-110582277-B Inhibitors of short-chain dehydrogenase activity for promoting neurogenesis and inhibiting neuronal cell death 卡斯西部储备大学 2023-11-21 CN disclosed
CN-110582277-A Inhibitors of short chain dehydrogenase activity for promoting neurogenesis and inhibiting neuronal cell death 卡斯西部储备大学 2019-12-17 CN disclosed