SCHEMBL116722

SCHEMBL116722

Nc1cncc(Br)c1

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
Bromide SCHEMBL1454620 0.97 KMT2A (0.41)
Cyanide SCHEMBL27868730 0.93 KDM4E (0.39)
Formamide SCHEMBL28851288 0.89 KMT2A (0.41)
Acetamide SCHEMBL27699784 0.85 KDM4E (0.47)
Formic Acid Methyl Ester SCHEMBL29073471 0.82 KMT2A (0.36)
SCHEMBL28874636 0.80 AXL (0.41)
SCHEMBL187404 0.78
SCHEMBL4974 0.78
SCHEMBL4441012 0.77 CYP3A4 (0.38)
SCHEMBL5802182 0.77 HTT (0.46)

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

Appears in 2132 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115819459-B Tri-tooth europium complex, preparation method and application thereof 复旦大学 2024-12-20 CN claimed
CN-117924347-A Preparation method of monosulfur organosilane coupling agent 江西宏柏新材料股份有限公司 2024-04-26 CN claimed
CN-114805192-B Tricyclic XOR/URAT1 dual inhibitor containing 2-hydroxybenzoic acid and preparation method and application thereof 华南理工大学 2023-05-23 CN claimed
CN-115819459-A Tridentate europium complex, preparation method and application thereof 复旦大学 2023-03-21 CN claimed
CN-114805192-A Tricyclic XOR/URAT1 dual inhibitor containing 2-hydroxybenzoic acid and preparation method and application thereof 华南理工大学 2022-07-29 CN claimed
CN-104876860-B A kind of diaryl pyrazole piperidine derivatives and preparation method and application 山东大学 2018-02-13 CN claimed
CN-104876860-A Diaryl pyridine derivative as well as preparation method and application thereof UNIV SHANDONG 2015-09-02 CN claimed
US-20100190773-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-29 US claimed
US-20060276496-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
US-20060276453-A1 Anti-Cytokine Heterocyclic Compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-12-07 US claimed
US-6949562-B2 Heterocyclic compounds as ligands of the GABAA receptor NEUROGEN CORPORATION (US) 2005-09-27 US claimed
US-20040110778-A1 Heterocyclic compounds as ligands of the GABAA receptor YOHANNES DANIEL (US) 2004-06-10 US claimed
EP-1325006-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABA A? RECEPTOR NEUROGEN CORPORATION (US) 2003-07-09 EP claimed
US-20030105081-A1 Heterocyclic compounds as ligands of the GABAA receptor PFIZER INC 2003-06-05 US claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
EP-4747248-A1 COMPOUNDS FOR USE IN A METHOD OF TARGETED PROTEIN DEGRADATION Institute of Cancer Research: Royal Cancer Hospital (The) (GB) 2026-05-27 EP disclosed
CN-117304095-B N-aryl-N-arpropargyl-aromatic acetamide compound and pharmaceutical application thereof ZHEJIANG UNIVERSITY (CN) 2026-05-26 CN disclosed
EP-0121825-B1 MONOAZO DYESTUFFS FOR CELLULOSE-CONTAINING FIBERS MITSUBISHI KASEI CORPORATION (JP) 1986-09-10 EP disclosed
EP-0121825-A1 Monoazo dyestuffs for cellulose-containing fibers MITSUBISHI KASEI CORPORATION (JP) 1984-10-17 EP disclosed
EP-0108570-A2 Disazo dyestuffs for cellulose-containing fibres and process for preparing the dyestuff MITSUBISHI KASEI CORPORATION (JP) 1984-05-16 EP disclosed