SCHEMBL8569620

SCHEMBL8569620

CCc1cc2c(cc1[N+](=O)[O-])-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=Nc1c(C)cc(C)cc1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
ALDH1A1 P00352 2/20 0.35
GPR35 Q9HC97 1/20 0.35
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.33
MAPK1 P28482 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
HKDC1 Q2TB90 1/20 0.32
HPRT1 P00492 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 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
SCHEMBL8570399 0.90 HSP90AA1 (0.53) HSP90AA1ALDH1A1GPR35TSHRMAPT
SCHEMBL8573092 0.86 HSP90AA1 (0.52) HSP90AA1ALDH1A1GPR35TSHRMAPT
SCHEMBL8573077 0.86 HSP90AA1 (0.52) HSP90AA1ALDH1A1GPR35TSHRMAPT
SCHEMBL8573732 0.85 HSP90AA1 (0.53) HSP90AA1ALDH1A1TSHRMAPTMAPK1
SCHEMBL8580895 0.84 HSP90AA1 (0.68) HSP90AA1ALDH1A1GPR35TSHRMAPT
SCHEMBL8570567 0.82 HSP90AA1 (0.48) HSP90AA1ALDH1A1GPR35MAPTMAPK1
SCHEMBL8572960 0.80 HSP90AA1 (0.45) HSP90AA1ALDH1A1GPR35MAPTMAPK1
SCHEMBL8575241 0.77 HSP90AA1 (0.46) HSP90AA1ALDH1A1TSHRMAPTMAPK1
SCHEMBL8572317 0.77 HSP90AA1 (0.42) HSP90AA1ALDH1A1L3MBTL1HTTMEN1
SCHEMBL8575991 0.76 HSP90AA1 (0.64) HSP90AA1ALDH1A1GPR35TSHRMAPT

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