SCHEMBL28817432

SCHEMBL28817432

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

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
PKM P14618 5/20 0.64
POLB P06746 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.60
GAA P10253 3/20 0.52
KMT2A Q03164 1/20 0.52
GFER P55789 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
DOT1L Q8TEK3 1/20 0.48
ALDH1A1 P00352 1/20 0.46
VCAM1 P19320 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
SCHEMBL28817433 0.93 MAPT (0.68) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL29842480 0.92 MAPT (0.67) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28817442 0.91 MAPT (0.65) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28817425 0.91 MAPT (0.65) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28817423 0.91 MAPT (0.65) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL29130781 0.84 MAPT (0.66) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL1958428 0.83 MAPT (0.71) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL21542217 0.81 MAPT (0.73) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL30349527 0.81 MAPT (0.73) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL28817457 0.81 MAPT (0.65) 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