SCHEMBL8570567

SCHEMBL8570567

CCc1cc2c(cc1[N+](=O)[O-])-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Nc1c(C)cccc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.48
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPRT1 P00492 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GPR35 Q9HC97 1/20 0.30

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
SCHEMBL8570399 0.91 HSP90AA1 (0.53) HSP90AA1MAPTMAPK1TDP1L3MBTL1
SCHEMBL8573077 0.89 HSP90AA1 (0.52) HSP90AA1MAPTMAPK1TDP1L3MBTL1
SCHEMBL8574311 0.87 HSP90AA1 (0.62) HSP90AA1MAPTMAPK1TDP1L3MBTL1
SCHEMBL8566560 0.85 HSP90AA1 (0.45) HSP90AA1MAPTMAPK1TDP1L3MBTL1
SCHEMBL8573732 0.85 HSP90AA1 (0.53) HSP90AA1MAPTMAPK1TDP1L3MBTL1
SCHEMBL8569620 0.82 HSP90AA1 (0.49) HSP90AA1MAPTMAPK1TDP1L3MBTL1
SCHEMBL8575991 0.80 HSP90AA1 (0.64) HSP90AA1MAPTMAPK1TDP1L3MBTL1
SCHEMBL8573092 0.77 HSP90AA1 (0.52) HSP90AA1MAPTMAPK1TDP1L3MBTL1
SCHEMBL8572960 0.76 HSP90AA1 (0.45) HSP90AA1MAPTMAPK1TDP1L3MBTL1
SCHEMBL4064475 0.75 HSP90AA1 (0.65) HSP90AA1MAPTMAPK1TDP1L3MBTL1

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