SCHEMBL28817461

SCHEMBL28817461

CCOC(=O)CCCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.68
PKM P14618 4/20 0.68
POLB P06746 2/20 0.68
KDM4E B2RXH2 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 4/20 0.52
GAA P10253 4/20 0.52
LMNA P02545 3/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
KMT2A Q03164 1/20 0.51
HCAR3 P49019 2/20 0.49
PTGER4 P35408 1/20 0.48
MAPK1 P28482 1/20 0.47
KAT2B Q92831 2/20 0.47
PRSS1 P07477 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
SCHEMBL28252134 0.97 MAPT (0.72) MAPTPKMPOLBKDM4ESMN1; SMN2
SCHEMBL28252821 0.85 LMNA (0.67) MAPTPKMPOLBKDM4ESMN1; SMN2
SCHEMBL28252139 0.83 MAPT (0.68) MAPTPKMPOLBSMN1; SMN2ALDH1A1
SCHEMBL8859451 0.80 MAPT (0.66) MAPTPKMPOLBKDM4ESMN1; SMN2
SCHEMBL1958584 0.78 MAPT (0.75) MAPTPKMPOLBSMN1; SMN2ALDH1A1
SCHEMBL28228303 0.78 MAPT (0.64) MAPTPKMPOLBKDM4ESMN1; SMN2
SCHEMBL2481610 0.78 SMN1; SMN2 (0.93) MAPTPKMPOLBSMN1; SMN2ALDH1A1
SCHEMBL28237244 0.77 MAPT (0.62) MAPTPKMPOLBSMN1; SMN2ALDH1A1
SCHEMBL1957440 0.77 MAPT (0.77) MAPTPKMPOLBSMN1; SMN2GAA
SCHEMBL6954918 0.77 MAPT (0.69) MAPTPKMPOLBKDM4ESMN1; SMN2

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
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