SCHEMBL8580895

SCHEMBL8580895

Cc1cc(C)c(N=C2c3cc([N+](=O)[O-])ccc3-c3c2cc([N+](=O)[O-])cc3[N+](=O)[O-])c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.68
HPRT1 P00492 1/20 0.47
MAPT P10636 6/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MCL1 Q07820 1/20 0.43
TDP1 Q9NUW8 4/20 0.42
MAPK1 P28482 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 6/20 0.38
TSHR P16473 3/20 0.38
GPR35 Q9HC97 2/20 0.38
PTPRC P08575 1/20 0.37
S100A4 P26447 1/20 0.37
LMNA P02545 1/20 0.37
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36

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
SCHEMBL12111761 0.86 HSP90AA1 (0.80) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL8569620 0.84 HSP90AA1 (0.49) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL8575991 0.82 HSP90AA1 (0.64) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL8574311 0.81 HSP90AA1 (0.62) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL14922778 0.81 HSP90AA1 (1.00) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL9153785 0.81 HSP90AA1 (0.62) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL4064475 0.81 HSP90AA1 (0.65) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL11781032 0.81 HSP90AA1 (0.72) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL11781023 0.81 HSP90AA1 (0.72) HSP90AA1HPRT1MAPTMEN1KMT2A
SCHEMBL16656170 0.80 HSP90AA1 (0.64) HSP90AA1HPRT1MAPTMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8151532-A None JP disclosed
US-5753394-A IMPROVED SOLUBILITY IN SOLVENT AND COMPATABILITY WITH BINDING RESIN MITA INDUSTRIAL CO., LTD. (JP) 1998-05-19 US disclosed
EP-0718278-A2 Derivatives of N-phenyl-trinitrofluorenonimine and electron transporting material MITA INDUSTRIAL CO., LTD. (JP) 1996-06-26 EP disclosed
JP-H08151532-A TRINITROFLUORENONEIMINE DERIVATIVE AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR MITA IND CO LTD 1996-06-11 JP disclosed