SCHEMBL11024952

SCHEMBL11024952

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
FBP1 P09467 1/20 0.32
LMNA P02545 1/20 0.32
TPMT P51580 1/20 0.32
PDK1 Q15118 1/20 0.32
APEX1 P27695 1/20 0.31
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
SCHEMBL11026910 0.84 CASP6 (0.40) MEN1MAPTKMT2ACYP1A2CYP3A4
SCHEMBL11027636 0.82 KMT2A (0.40) MEN1MAPTKMT2ACYP3A4SMN1; SMN2
SCHEMBL11023116 0.82 ALDH1A1 (0.43) MEN1MAPTKMT2ACYP1A2CYP3A4
SCHEMBL11025471 0.81 TDP1 (0.43) MEN1MAPTKMT2ACYP1A2SMN1; SMN2
SCHEMBL11028236 0.80 HCAR2 (0.34) MEN1MAPTKMT2ACYP1A2CYP3A4
SCHEMBL11027707 0.79 TSHR (0.34) MEN1MAPTKMT2ASMN1; SMN2RECQL
SCHEMBL11028004 0.78 ALDH1A1 (0.38) MAPTSMN1; SMN2TDP1ALDH1A1LMNA
SCHEMBL11029436 0.78 PDK1 (0.35) MEN1MAPTKMT2ASMN1; SMN2RECQL
SCHEMBL11027006 0.77 KMT2A (0.41) MEN1MAPTKMT2ACYP1A2SMN1; SMN2
SCHEMBL11025518 0.77 TSHR (0.42) MEN1MAPTKMT2ACYP1A2CYP3A4

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