SCHEMBL7875596

SCHEMBL7875596

[CH2]CC(C)CNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 2/20 0.50
ATM Q13315 1/20 0.47
ALOX5 P09917 3/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL27233005 0.87 GAA (0.54) GAALMNAALDH1A1HTTATM
SCHEMBL7995220 0.85 GAA (0.59) GAALMNAALDH1A1HTTATM
SCHEMBL11527006 0.79 GAA (0.53) GAALMNAALDH1A1HTTATM
SCHEMBL10620309 0.78 ALDH1A1 (0.50) GAALMNAALDH1A1HTTATM
SCHEMBL3071598 0.77 GAA (0.80) GAALMNAALDH1A1HTTALOX5
SCHEMBL6865356 0.75 GAA (0.51) GAALMNAALDH1A1HTTATM
SCHEMBL3071601 0.73 MEN1 (0.56) GAALMNAALDH1A1ALOX5MAPT
SCHEMBL28119673 0.73 GAA (0.44) GAALMNAALDH1A1HTTATM
SCHEMBL6843811 0.73 MAPT (0.54) GAALMNAALDH1A1HTTPKM
SCHEMBL9678195 0.73 TSHR (0.53) GAALMNAALDH1A1HTTATM

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
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed