SCHEMBL11025869

SCHEMBL11025869

C=C(C)C(=O)OCc1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
FBP1 P09467 1/20 0.35
HTT P42858 2/20 0.35
POLB P06746 2/20 0.35
MITF O75030 2/20 0.35
LMNA P02545 2/20 0.35
CCR6 P51684 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GALR2 O43603 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35
XBP1 P17861 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL11024955 0.86 THRB (0.41) ALDH1A1FBP1HTTPOLBMITF
SCHEMBL11029221 0.84 ALDH1A1 (0.41) ALDH1A1HTTPOLBMITFLMNA
SCHEMBL11023120 0.83 TSHR (0.41) ALDH1A1FBP1HTTPOLBMITF
SCHEMBL11028650 0.82 HTT (0.42) ALDH1A1HTTLMNASMN1; SMN2MAPT
SCHEMBL19181438 0.82 ALDH1A1 (0.40) ALDH1A1HTTPOLBMAPTKDM4E
SCHEMBL11024806 0.81 KMT2A (0.38) ALDH1A1HTTPOLBLMNANPSR1
SCHEMBL16651887 0.78 ALDH1A1 (0.39) ALDH1A1HTTPOLBMITFLMNA
SCHEMBL11024091 0.78 KMT2A (0.38) ALDH1A1HTTPOLBNPSR1SMN1; SMN2
SCHEMBL11024867 0.78 MAPT (0.35) ALDH1A1FBP1MAPTTSHR
SCHEMBL11026774 0.78 ALDH1A1 (0.39) ALDH1A1POLBMITFLMNACCR6

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