SCHEMBL5675005

SCHEMBL5675005

[CH2]c1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 9/20 0.35
TSHR P16473 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP3A4 P08684 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
GPR35 Q9HC97 1/20 0.34
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.31
ATM Q13315 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
SCHEMBL57882 0.80 TSHR (0.40) TDP1TSHRALDH1A1KMT2AMEN1
SCHEMBL6800906 0.78 TDP1 (0.38) TDP1TSHRALDH1A1KMT2AMEN1
SCHEMBL1028967 0.77 TDP1 (0.50) TDP1TSHRALDH1A1KMT2AMEN1
SCHEMBL58127 0.77 HSD17B10 (0.54) TDP1TSHRALDH1A1CYP3A4MAPT
SCHEMBL710076 0.75 ALDH1A1 (0.47) TDP1TSHRALDH1A1KMT2AMEN1
SCHEMBL232839 0.75 TDP1 (0.39) TDP1TSHRALDH1A1KMT2AMEN1
SCHEMBL247495 0.75 PARP1 (0.41) TDP1TSHRALDH1A1KMT2AMEN1
SCHEMBL1028675 0.75 GPR35 (0.47) TDP1TSHRALDH1A1KMT2AMEN1
SCHEMBL19859 0.75 VCAM1 (0.46) TDP1TSHRALDH1A1CYP3A4GPR35
SCHEMBL2783828 0.75 TDP1 (0.48) TDP1TSHRALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990951-B1 Unsymmetrical perylene dimers XEROX CORP (US) 2006-01-11 EP claimed
EP-0861878-B1 Unsymmetrical perylene dimers XEROX CORP (US) 2001-10-24 EP claimed
US-6162571-A PHOTOCONDUCTIVE IMAGING MEMBER COMPRISED OF AN UNSYMMETRICAL PERYLENE; PHOTOACTIVE COMPONENT IN PHOTOCONDUCTIVE IMAGING MEMBERS USEFUL IN ELECTROPHOTOGRAPHIC PRINTING; ORGANIC SOLAR CELLS XEROX CORPORATION (US) 2000-12-19 US claimed
EP-0861878-A1 Unsymmetrical perylene dimers XEROX CORPORATION (US) 1998-09-02 EP claimed
US-5683842-A CHARGE GENERATORS FOR IMAGES XEROX CORPORATION (US) 1997-11-04 US claimed
EP-0990951-B1 Unsymmetrical perylene dimers XEROX CORP (US) 2006-01-11 EP disclosed
US-6403796-B1 REACTING PERYLENE MONOIMIDO ANHYDRIDE WITH MONOAMINOPERYLENE BISIMIDE TO PREPARE UNSYMMETRICAL PERYLENE BISIMIDE DIMER XEROX CORPORATION 2002-06-11 US disclosed
US-6162571-A PHOTOCONDUCTIVE IMAGING MEMBER COMPRISED OF AN UNSYMMETRICAL PERYLENE; PHOTOACTIVE COMPONENT IN PHOTOCONDUCTIVE IMAGING MEMBERS USEFUL IN ELECTROPHOTOGRAPHIC PRINTING; ORGANIC SOLAR CELLS XEROX CORPORATION (US) 2000-12-19 US disclosed
EP-0990951-A1 Unsymmetrical perylene dimers Xerox Corporation (US) 2000-04-05 EP disclosed