SCHEMBL7821087

SCHEMBL7821087

O=[N+]([O-])c1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
TDP1 Q9NUW8 1/20 0.74
LMNA P02545 1/20 0.52
HTR7 P34969 1/20 0.50
SCN2A Q99250 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
APP P05067 1/20 0.47
MAOB P27338 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPRC P08575 3/20 0.46
S100A4 P26447 3/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
CES1 P23141 1/20 0.46
ADAMTS4 O75173 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
CRHBP P24387 1/20 0.46
KMT2A Q03164 1/20 0.46

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
Water SCHEMBL28773684 0.98 ALDH1A1 (0.71) ALDH1A1TDP1LMNAHTR7SCN2A
SCHEMBL2958562 0.86 ALDH1A1 (0.92) ALDH1A1TDP1POLBMAPK1PTPN1
SCHEMBL30196067 0.85 ALDH1A1 (1.00) ALDH1A1TDP1MAPK1PTPN1PTPRC
Benzene SCHEMBL28038982 0.85 ALDH1A1 (1.00) ALDH1A1TDP1MAPK1PTPN1PTPRC
SCHEMBL28240316 0.85 ALDH1A1 (0.58) ALDH1A1TDP1LMNAHTR7SCN2A
SCHEMBL44392 0.85 ALDH1A1 (1.00) ALDH1A1TDP1MAPK1PTPN1PTPRC
SCHEMBL6747891 0.84 ALDH1A1 (0.74) ALDH1A1TDP1MAPK1MAOBPTPN1
SCHEMBL11792031 0.83 ALDH1A1 (0.88) ALDH1A1TDP1LMNAPOLBMAPK1
Water SCHEMBL1828402 0.83 ALDH1A1 (0.96) ALDH1A1TDP1MAPK1PTPN1PTPRC
Methane SCHEMBL2186810 0.83 ALDH1A1 (0.96) ALDH1A1TDP1MAPK1PTPN1PTPRC

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-0780363-B1 Bisazo-benzofuran compounds, their use as charge carrier generating compounds SHARP KK (JP) 2001-09-26 EP claimed
CN-101152185-B Use of heterocyclic compounds as SCCE inhibitors AREXIS AB 2010-12-08 CN disclosed
CN-100518740-C Pharmaceutical use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2009-07-29 CN disclosed
CN-101152185-A Use of heterocyclic compounds as scce inhibitors AREXIS AB (SE) 2008-04-02 CN disclosed
CN-1802160-A Use of heterocyclic compounds as SCCE inhibitors AREXIS AB (SE) 2006-07-12 CN disclosed
EP-0780363-B1 Bisazo-benzofuran compounds, their use as charge carrier generating compounds SHARP KK (JP) 2001-09-26 EP disclosed
EP-0780363-A1 Bisazo-benzofuran compounds, their use as charge carrier generating compounds and intermediates for their preparation SHARP KABUSHIKI KAISHA (JP) 1997-06-25 EP disclosed
US-5138098-A Catalytic actlation using complexing agent AMOCO CORPORATION (US) 1992-08-11 US disclosed
US-4401603-A CHLORINATION OF THE SOLUTION OR SUSPENSION FORMED BY THE FORMYLATION OF AN ARYLAMINE IN A SOLVENT CASSELLA AKTIENGESELLSCHAFT (DE) 1983-08-30 US disclosed