SCHEMBL8570399

SCHEMBL8570399

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
MAPT P10636 8/20 0.36
L3MBTL1 Q9Y468 5/20 0.36
TDP1 Q9NUW8 5/20 0.36
MAPK1 P28482 4/20 0.36
ALDH1A1 P00352 5/20 0.34
GPR35 Q9HC97 1/20 0.34
HPRT1 P00492 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 5/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 2/20 0.32
LMNA P02545 2/20 0.32
MITF O75030 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 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
SCHEMBL8573077 0.96 HSP90AA1 (0.52) HSP90AA1MAPTL3MBTL1TDP1MAPK1
SCHEMBL8570567 0.91 HSP90AA1 (0.48) HSP90AA1MAPTL3MBTL1TDP1MAPK1
SCHEMBL8573732 0.91 HSP90AA1 (0.53) HSP90AA1MAPTL3MBTL1TDP1MAPK1
SCHEMBL8569620 0.90 HSP90AA1 (0.49) HSP90AA1MAPTL3MBTL1TDP1MAPK1
SCHEMBL8575991 0.86 HSP90AA1 (0.64) HSP90AA1MAPTL3MBTL1TDP1MAPK1
SCHEMBL8573092 0.83 HSP90AA1 (0.52) HSP90AA1MAPTL3MBTL1TDP1MAPK1
SCHEMBL8572960 0.81 HSP90AA1 (0.45) HSP90AA1MAPTL3MBTL1TDP1MAPK1
SCHEMBL4064475 0.81 HSP90AA1 (0.65) HSP90AA1MAPTL3MBTL1TDP1MAPK1
SCHEMBL8571939 0.81 HSP90AA1 (0.45) HSP90AA1MAPTL3MBTL1TDP1MAPK1
SCHEMBL8575241 0.80 HSP90AA1 (0.46) HSP90AA1MAPTL3MBTL1TDP1MAPK1

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