SCHEMBL28817433

SCHEMBL28817433

NS(=O)(=O)c1ccc(NCCCC(=O)NO)c([N+](=O)[O-])c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.68
PKM P14618 3/20 0.68
POLB P06746 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.64
GAA P10253 3/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
PRSS1 P07477 4/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
GFER P55789 1/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 1/20 0.47
DOT1L Q8TEK3 1/20 0.46
HCAR3 P49019 1/20 0.46
KAT2B Q92831 1/20 0.46

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
SCHEMBL29842480 0.96 MAPT (0.67) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28817442 0.95 MAPT (0.65) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28817425 0.95 MAPT (0.65) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28817423 0.95 MAPT (0.65) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28817432 0.93 MAPT (0.64) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28252139 0.83 MAPT (0.68) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28252134 0.82 MAPT (0.72) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1958428 0.81 MAPT (0.71) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL29130781 0.80 MAPT (0.66) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21542217 0.79 MAPT (0.73) MAPTPKMPOLBSMN1; SMN2GAA

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
CN-108794358-B Substituted benzenesulfonyl compounds and application thereof in preparing medicines 中国人民解放军第二军医大学 2022-08-12 CN claimed
CN-108794358-B Substituted benzenesulfonyl compounds and application thereof in preparing medicines 中国人民解放军第二军医大学 2022-08-12 CN disclosed