SCHEMBL7516676

SCHEMBL7516676

O=[N+]([O-])c1ccc2c(c1)[C]c1cc([N+](=O)[O-])ccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 3/20 0.55
S100A4 P26447 2/20 0.55
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MCL1 Q07820 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
CES1 P23141 1/20 0.48
TSHR P16473 4/20 0.48
LMNA P02545 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL2935512 0.82 HPRT1 (0.48) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL5958796 0.73 TDP1 (0.65) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL11028069 0.73 GPR35 (0.69) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL2599382 0.71 PTPRC (1.00) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL11050883 0.71 PTPRC (0.57) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL10487196 0.71 CYP3A4 (0.64) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL2772220 0.71 PTPRC (0.83) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL1237207 0.71 PTPRC (0.91) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL10405791 0.71 HSD17B10 (0.72) PTPRCS100A4ALDH1A1TDP1CYP3A4
SCHEMBL435495 0.71 PTPRC (0.85) PTPRCS100A4ALDH1A1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1172700-A2 Photoconductive imaging members Xerox Corporation (US) 2002-01-16 EP claimed
US-6194110-B1 Imaging members XEROX CORPORATION 2001-02-27 US claimed
EP-1172700-A2 Photoconductive imaging members Xerox Corporation (US) 2002-01-16 EP disclosed
US-6322941-B1 PHOTOGENERATING LAYER COMPRISED OF A MIXTURE OF 1,3-BIS (N-PENTYLIMIDOPERYLENEIMIDO) PROPANE, 1,3-BIS(2-METHYL BUTYLIMIDO PERYLENEIMIDO)PROPANE, AND 1-(N-PENTYLIMIDO PERYLENEIMIDO)-3-(2-METHYLBUTYLIMIDOPERYLENEIMIDO)-PROPANE XEROX CORPORATION 2001-11-27 US disclosed
US-6194110-B1 Imaging members XEROX CORPORATION 2001-02-27 US disclosed