SCHEMBL11028236

SCHEMBL11028236

C=CC(=O)OC(C)c1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
FBP1 P09467 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TPMT P51580 1/20 0.32
PDK1 Q15118 2/20 0.32
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31

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
SCHEMBL11024371 0.84 CASP6 (0.40) HCAR2TDP1MEN1KMT2AALDH1A1
SCHEMBL11027189 0.82 CYP3A4 (0.38) HCAR2TDP1MEN1KMT2AALDH1A1
SCHEMBL11023151 0.82 ALDH1A1 (0.40) TDP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27781496 0.82 ALDH1A1 (0.46) KMT2AALDH1A1SMN1; SMN2MAPTCYP2C19
SCHEMBL11026874 0.81 TDP1 (0.43) TDP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11024952 0.80 MEN1 (0.34) TDP1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11025164 0.79 TSHR (0.34) TDP1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL11022930 0.78 PDK1 (0.37) TDP1KMT2AALDH1A1MAPTTPMT
SCHEMBL11025303 0.78 PDK1 (0.35) TDP1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL11024996 0.77 KMT2A (0.41) TDP1MEN1KMT2AALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0067954-B1 ORGANIC PHOTOCONDUCTIVE COMPOSITIONS FOR ELECTROPHOTOGRAPHY KABUSHIKI KAISHA TOSHIBA (JP) 1985-08-28 EP disclosed
EP-0067954-A2 Organic photoconductive compositions for electrophotography KABUSHIKI KAISHA TOSHIBA (JP) 1982-12-29 EP disclosed