SCHEMBL2867066

SCHEMBL2867066

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

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.67
CES1 P23141 2/20 0.61
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
CES2 O00748 1/20 0.53
SRD5A2 P31213 1/20 0.53
HSD11B1 P28845 1/20 0.53
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
MMP8 P22894 1/20 0.51
PKM P14618 1/20 0.51
MAPT P10636 1/20 0.50

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
SCHEMBL11510574 0.83 GSK3B (0.71) GSK3BCES1CA1CA2TDP1
SCHEMBL240086 0.83 GSK3B (0.71) GSK3BCES1CA1CA2TDP1
SCHEMBL11713734 0.82 GSK3B (0.69) GSK3BCES1CA1CA2TDP1
SCHEMBL220960 0.82 GSK3B (0.69) GSK3BCES1CA1CA2TDP1
SCHEMBL27858771 0.82 PTPN1 (0.52) GSK3BCA1CA2TDP1ALDH1A1
SCHEMBL6155163 0.80 GSK3B (0.67) GSK3BCES1CA1CA2TDP1
SCHEMBL73490 0.80 GSK3B (1.00) GSK3BCES1CA1CA2TDP1
SCHEMBL671514 0.80 GSK3B (0.67) GSK3BCES1CA1CA2TDP1
SCHEMBL255510 0.80 GSK3B (0.67) GSK3BCES1CA1CA2TDP1
SCHEMBL105102 0.80 GSK3B (0.55) GSK3BCES1CA1CA2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116063587-B Catalytic hydrogenation method of carbon five resin 宁波工程学院 2025-05-30 CN disclosed
CN-118480524-B L-threonine transaldolase mutant and efficient chloramphenicol intermediate synthesized by same 江南大学 2025-04-25 CN disclosed
CN-119776310-A L-threonine transaldolase mutant and application thereof in chloramphenicol chiral intermediate synthesis 福州君健生物科技有限公司 2025-04-08 CN disclosed
CN-115991632-B Method for producing 1,2, 4-butanetriol 中国科学院上海有机化学研究所 2024-10-29 CN disclosed
CN-118812387-A Sotalol intermediate compounds 山东新时代药业有限公司 2024-10-22 CN disclosed
CN-118480524-A L-threonine transaldolase mutant and efficient chloramphenicol intermediate synthesized by same 江南大学 2024-08-13 CN disclosed
CN-118084694-A Method for preparing p-amino acetophenone by selective hydrogenation of p-nitroacetophenone 湘潭大学 2024-05-28 CN disclosed
CN-114181088-B Ionic liquid [ TEA ] [ TfOH ]2Method for preparing alpha-halogenated acetophenone compound by catalysis 大连大学 2024-05-17 CN disclosed
CN-117924177-A Preparation method of pazopanib intermediate 2, 3-dimethyl-6-amino-2H-indazole and analogues thereof 南京杰运医药科技有限公司 2024-04-26 CN disclosed
CN-115155575-B Double-atom catalyst for preparing aniline by efficiently catalyzing nitrobenzene hydrogenation and preparation method thereof 中山大学 2024-04-19 CN disclosed
EP-0114482-B1 A PHOTOSENSITIVE COMPOSITION FOR ELECTROPHOTOGRAPHY MITA INDUSTRIAL CO. LTD. (JP) 1988-09-14 EP disclosed
US-4741981-A Photosensitive material for electrophotography contains organic phosphite compounds RICOH CO., LTD. (JP) 1988-05-03 US disclosed
EP-0100581-B1 PHOTOSENSITIVE MATERIAL FOR ELECTROPHOTOGRAPHY MITA INDUSTRIAL CO. LTD. (JP) 1987-08-26 EP disclosed
US-4521504-A DICHROMATIC IMAGES-CONDUCTIVE SUBSTRATE LAMINATED WITH PHOTOCONDUCTIVE RICOH COMPANY, LTD. (JP) 1985-06-04 US 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-4370398-A Electrostatic copying process RICOH COMPANY, LTD. (JP) 1983-01-25 US 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
US-4352942-A TREATMENT OF ISOMERIC MIXTURE OF NITRO AROMATIC KETO COMPOUNDS WITH OLEUM GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-05 US disclosed