SCHEMBL3202580

SCHEMBL3202580

O=[N+]([O-])C(Cc1ccccc1)(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
SLC6A2 P23975 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
FDPS P14324 1/20 0.37
KIF11 P52732 1/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CPA1 P15085 3/20 0.36
KCNA5 P22460 1/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL8977877 0.78 ALDH1A1 (0.38) CYP1A2CYP2C19CYP2C9HIF1ATAAR1
SCHEMBL8977864 0.78 ALDH1A1 (0.38) CYP1A2CYP2C19HIF1AKIF11LMNA
SCHEMBL9583022 0.77 SMN1; SMN2 (0.44) CYP1A2CYP2C19CYP2C9SMN1; SMN2HIF1A
SCHEMBL1828129 0.77 SMN1; SMN2 (0.42) CYP1A2CYP2C19CYP2C9SMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL9582760 0.76 SMN1; SMN2 (0.43) CYP1A2CYP2C19CYP2C9SMN1; SMN2HIF1A
SCHEMBL19326612 0.74 LMNA (0.35) CYP1A2CYP2C19CYP2C9HIF1ATAAR1
SCHEMBL28052697 0.74 GSR (0.36) CYP1A2CYP2C19HIF1AKIF11LMNA
SCHEMBL4371898 0.73 SLC6A2 (0.48) CYP1A2CYP2C19CYP2C9SMN1; SMN2HIF1A
SCHEMBL8331176 0.73 FDPS (0.47) CYP1A2CYP2C19CYP2C9SMN1; SMN2HIF1A
SCHEMBL3293297 0.73 SLC6A2 (0.48) CYP1A2CYP2C19CYP2C9SMN1; SMN2HIF1A

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119191987-A Preparation process of 2, 2-dinitrobibenzyl 浙江华洲药业有限公司 2024-12-27 CN claimed
CN-110981754-A Diphenylethane diisocyanate and preparation method thereof 山东华阳农药化工集团有限公司 2020-04-10 CN claimed
CN-101216669-B Photoresist composition and method for forming pattern of a semiconductor device HYNIX SEMICONDUCTOR INC 2012-07-18 CN claimed
US-7539006-B2 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2009-05-26 US claimed
US-20070029529-A1 Electrolytic solution for driving electrolytic capacitor and electrolytic capacitor KOMATSU AKIHIKO 2007-02-08 US claimed
US-20040245105-A1 Electrolyte solution for driving electrolytic capacitor and electrolytic capacitor RUBYCON CORPORATION (JP) 2004-12-09 US claimed
EP-1437749-A1 ELECTROLYTE SOLUTION FOR DRIVING ELECTROLYTIC CAPACITOR AND ELECTROLYTIC CAPACITOR Rubycon Corporation (JP) 2004-07-14 EP claimed
CN-119191987-A Preparation process of 2, 2-dinitrobibenzyl 浙江华洲药业有限公司 2024-12-27 CN disclosed
CN-118638054-A Comprehensive synthesis method of iminostilbene and intermediate thereof 湖北华洲药业有限公司 2024-09-13 CN disclosed
CN-220514183-U Synthesis device of 2, 2-dinitrodiphenoxyethane 淄博鸿润新材料有限公司 2024-02-23 CN disclosed
CN-110981753-A Preparation of diphenyl ethane diisocyanate by dimethyl carbonate method and application thereof 山东华阳农药化工集团有限公司 2020-04-10 CN disclosed
CN-110981754-A Diphenylethane diisocyanate and preparation method thereof 山东华阳农药化工集团有限公司 2020-04-10 CN disclosed
CN-110981753-A Preparation of diphenyl ethane diisocyanate by dimethyl carbonate method and application thereof 山东华阳农药化工集团有限公司 2020-04-10 CN disclosed
US-4595744-A Low melting point diphenylethane diisocyanate mixtures, method of making the same, and polyurethanes made therefrom ATOCHEM (FR) 1986-06-17 US disclosed
US-4574114-A Photosensitive composition for electrophotography having polyvinyl carbazole and silicone oil MITA INDUSTRIAL COMPANY, LTD. (JP) 1986-03-04 US disclosed
EP-0149388-A1 Isocyanate composition having a low melting point with a diphenyl ethane structure, process for the preparation thereof; use for the fabrication of polyurethanes ELF ATOCHEM S.A. (FR) 1985-07-24 EP disclosed
US-4469769-A Photosensitive material for electrophotography contains halo-benzoquinone sensitizer MITA INDUSTRIAL CO. LTD. (JP) 1984-09-04 US disclosed
EP-0114482-A2 A photosensitive composition for electrophotography MITA INDUSTRIAL CO. LTD. (JP) 1984-08-01 EP disclosed
EP-0100581-A2 Photosensitive material for electrophotography MITA INDUSTRIAL CO. LTD. (JP) 1984-02-15 EP disclosed
US-4361638-A AMORPHOUS SILICON AND CARBON BASE MATERIAL DOPED WITH HYDROGEN AND FLUORINE FUJI PHOTO FILM CO., LTD. (JP) 1982-11-30 US disclosed