SCHEMBL8575241

SCHEMBL8575241

CCc1cc2c(cc1[N+](=O)[O-])-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Nc1ccccc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.46
TDP1 Q9NUW8 5/20 0.39
MAPT P10636 4/20 0.39
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
PTGS2 P35354 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
HPRT1 P00492 1/20 0.32
CYP1A2 P05177 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CDK5 Q00535 2/20 0.32
CDK5R1 Q15078 2/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL8571939 0.86 HSP90AA1 (0.45) HSP90AA1TDP1MAPTMAPK1L3MBTL1
SCHEMBL8566560 0.85 HSP90AA1 (0.45) HSP90AA1TDP1MAPTMAPK1L3MBTL1
SCHEMBL8573732 0.82 HSP90AA1 (0.53) HSP90AA1TDP1MAPTMAPK1L3MBTL1
SCHEMBL8573092 0.80 HSP90AA1 (0.52) HSP90AA1TDP1MAPTMAPK1L3MBTL1
SCHEMBL8570399 0.80 HSP90AA1 (0.53) HSP90AA1TDP1MAPTMAPK1L3MBTL1
SCHEMBL8572317 0.79 HSP90AA1 (0.42) HSP90AA1L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL8572960 0.79 HSP90AA1 (0.45) HSP90AA1TDP1MAPTMAPK1L3MBTL1
SCHEMBL8573077 0.78 HSP90AA1 (0.52) HSP90AA1TDP1MAPTMAPK1L3MBTL1
SCHEMBL8569620 0.77 HSP90AA1 (0.49) HSP90AA1TDP1MAPTMAPK1L3MBTL1
SCHEMBL8570567 0.75 HSP90AA1 (0.48) HSP90AA1TDP1MAPTMAPK1L3MBTL1

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
US-5705694-A Trinitrofluoroenonimine derivative and electrophotosensitive material using the same MITA INDUSTRIAL CO., LTD. (JP) 1998-01-06 US disclosed
EP-0716078-A1 2-Ethyl-3,5,7-trinitrofluorenonimine derivative and use as charge transport MITA INDUSTRIAL CO. LTD. (JP) 1996-06-12 EP disclosed