SCHEMBL856758

SCHEMBL856758

NC1C=CC=CC1(Br)[N+](=O)[O-]

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL28444613 0.77
SCHEMBL20660050 0.76
SCHEMBL630894 0.73
SCHEMBL3933294 0.73
SCHEMBL29162290 0.72
SCHEMBL311015 0.72
SCHEMBL6863642 0.72
SCHEMBL5196121 0.72
SCHEMBL4023019 0.72
SCHEMBL1815629 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109467535-A A kind of preparation method of Fenbendazole 江苏宝众宝达药业有限公司 2019-03-15 CN claimed
CN-105669520-A Tryptophan basic skeleton-containing o-phenylenediamine selective histone deacetylase inhibitor and its preparation method and use 山东大学 2016-06-15 CN claimed
CN-103728294-B Bisbenzimidazole connection carbazole compound is for specific binding nucleic acid G-tetra-chain body structures and in the application of antineoplastic INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-05-11 CN claimed
CN-103728294-A Applications of bisbenzimidazole bicarbazole compound in specific binding nucleic acid G-quadruplex structure and anti-tumor drug CHINESE ACAD INST CHEMISTRY 2014-04-16 CN claimed
WO-2021138392-A1 AMINOPYRIMIDINE COMPOUNDS TYRA BIOSCIENCES, INC. (US) 2021-07-08 WO disclosed
CN-110354128-A Pyrimidine FGFR4 inhibitors 卫材R&D管理有限公司 2019-10-22 CN disclosed
CN-110290792-A Morphinan derivative and its composition for being used to treat autoimmunity, inflammation or the relevant obstacle of infection 景凯生物科技股份有限公司 2019-09-27 CN disclosed
CN-110214138-A Pyrimidine compounds and their pharmaceutical use 韩美药品株式会社 2019-09-06 CN disclosed
CN-110177784-A One kind containing aromatic compound, preparation method, pharmaceutical composition and application 罗欣药业(上海)有限公司 2019-08-27 CN disclosed
CN-105899490-B Pyrimidine FGFR4 Inhibitors 卫材R&D管理有限公司 2019-07-23 CN disclosed
CN-110049983-A Medical compounds 细胞中心有限公司 2019-07-23 CN disclosed
CN-109843874-A Inhibitor as PARP1, PARP2 and/or tubulin can be used for the phthalazine derivatives for the treatment of cancer 加利福尼亚大学董事会 2019-06-04 CN disclosed
CN-105188718-A Chelants for advanced glycation end product (AGE) precursors GENZYME CORP 2015-12-23 CN disclosed
CN-104024248-A SERINE/THREONINE PAK1 INHIBITORS HOFFMANN LA ROCHE 2014-09-03 CN disclosed
CN-103728294-A Applications of bisbenzimidazole bicarbazole compound in specific binding nucleic acid G-quadruplex structure and anti-tumor drug CHINESE ACAD INST CHEMISTRY 2014-04-16 CN disclosed
CN-102170882-B Compositions and methods of treating amyloid disease TREVENTIS CORP 2014-04-02 CN disclosed
CN-101472585-B Antibacterial compositions BIOTA EUROPE LTD 2013-12-04 CN disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
EP-1497287-B1 Quinoline derivatives in combination with 5-FU or CPT-11 for use in the treatment of cancer NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-11-24 EP disclosed