SCHEMBL28153181

SCHEMBL28153181

NS(=O)(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.75
ALDH1A1 P00352 5/20 0.75
GAA P10253 4/20 0.58
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 1/20 0.58
KDM4E B2RXH2 2/20 0.57
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA9 Q16790 4/20 0.52
CA7 P43166 3/20 0.52
CA12 O43570 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.50
VCAM1 P19320 1/20 0.50

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
Ethoxycarbonyl Group SCHEMBL27849884 0.87 ALDH1A1 (0.58) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL1959129 0.83 MAPT (0.75) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL16038620 0.83 MAPT (0.75) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL14377101 0.81 MAPT (0.57) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL20876774 0.80 GAA (0.72) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL3620269 0.79 MAPT (0.77) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL3923062 0.78 ALDH1A1 (0.58) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL7420552 0.78 MAPT (0.55) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL14000134 0.78 ALDH1A1 (0.58) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL31337422 0.78 MAPT (0.55) MAPTALDH1A1GAALMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108175749-A The solid dispersions of melt extrusion containing cell death inducer 艾伯维爱尔兰无限公司 2018-06-19 CN disclosed
CN-103282025-B Melt-extruded solid dispersions containing apoptosis-inducing agents 艾伯维爱尔兰无限公司 2018-01-02 CN disclosed
CN-104876927-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维爱尔兰无限公司 2017-06-23 CN disclosed