SCHEMBL3279594

SCHEMBL3279594

O=[N+]([O-])c1cc([N+](=O)[O-])c2nnn(O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.67
▸ MAPK1 P28482 4/20 0.67
▸ TXNRD1 Q16881 1/20 0.44
▸ TXNRD3 Q86VQ6 1/20 0.44
▸ TXNRD2 Q9NNW7 1/20 0.44
▸ ALDH1A1 P00352 9/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ GPR35 Q9HC97 5/20 0.42
▸ TDP1 Q9NUW8 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ TTR P02766 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ PMP22 Q01453 1/20 0.42

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
SCHEMBL6273996 0.85 MAPT (0.54) MAPTMAPK1TXNRD1TXNRD3TXNRD2
SCHEMBL3283730 0.83 MAPT (0.65) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL3278985 0.83 MAPT (0.65) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL3279016 0.83 MAPT (0.50) MAPTMAPK1ALDH1A1GPR35TDP1
SCHEMBL3286185 0.83 MAPT (0.50) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL3284952 0.83 MAPT (0.50) MAPTMAPK1TXNRD1TXNRD3TXNRD2
SCHEMBL3435023 0.79 PLK1 (0.51) MAPTMAPK1TXNRD1TXNRD3TXNRD2
SCHEMBL22954108 0.79 MAPT (0.60) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL3281052 0.77 MAPT (0.61) MAPTMAPK1ALDH1A1KMT2AMEN1
SCHEMBL3283298 0.75 MAPK1 (0.46) MAPTMAPK1TXNRD1TXNRD3TXNRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9475916-B2 Process for curing surface-coating compositions ALLNEX AUSTRIA GMBH (AT) 2016-10-25 — — US claimed
US-20140356540-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2014-12-04 — — US claimed
EP-2655527-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS ALLNEX AUSTRIA GmbH (AT) 2013-10-30 — — EP claimed
WO-2012085016-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2012-06-28 — — WO claimed
EP-1092762-B1 Storage stable compositions comprising mediators, peroxide compounds and pH stabilizers, and their use in enzymatic bleaching systems BAYER CHEMICALS AG (DE) 2004-12-08 — — EP claimed
US-6380142-B1 FOR USE IN ENZYMATIC TWO-COMPONENT BLEACHING SYSTEMS BAYER AKTIENGESELLSCHAFT (DE) 2002-04-30 — — US claimed
EP-1092762-A1 Storage stable compositions comprising mediators, peroxide compounds and pH stabilizers, and their use in enzymatic bleaching systems Bayer Aktiengesellschaft (DE) 2001-04-18 — — EP claimed
US-9475916-B2 Process for curing surface-coating compositions ALLNEX AUSTRIA GMBH (AT) 2016-10-25 — — US disclosed
CN-104788393-A Method for synthesizing 4,6-dinitro-5,7-diaminobenzotriazol-1-oxide XIAN MODERN CHEMISTRY RES INST 2015-07-22 — — CN disclosed
US-20140356540-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2014-12-04 — — US disclosed
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 — — US disclosed
EP-1685183-B1 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2008-01-16 — — EP disclosed
US-20070129520-A1 High yield of 2-formylethyldimethylsilanol-modified polydimethylsiloxane obtained by the continuous process of oxidizing 3-hydroxypropyldimethylsilanol-modified corresponding polymer using Tempoas an oxidation catalyst and air or oxygen as oxidizer in an aqueous dispersion; industrial scale; low cost WACKER CHEMIE AG (DE) 2007-06-07 — — US disclosed
EP-0882814-A1 System and process for the electrochemical cleavage of compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-09 — — EP disclosed
EP-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 — — EP disclosed
CN-1142255-A Multicomponent system for modifying decomposing or bleaching lignin, lignin-containing materials or similar substances and method of using this system LIGNOZYM GMBH (DE) 1997-02-05 — — CN disclosed
EP-0745154-A1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM Lignozym GmbH (DE) 1996-12-04 — — EP disclosed
EP-0739898-A2 Phosphonomonoester nucleic acids, methods for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-30 — — EP disclosed
WO-1996018770-A2 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1996-06-20 — — WO disclosed
EP-0717143-A1 Multicomponents system for modifying decomposing or bleaching of lignin or materials containing it or similar components and the way to use it Lignozym GmbH (DE) 1996-06-19 — — EP disclosed
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