SCHEMBL3164701

SCHEMBL3164701

Nc1ccc(N=O)c(N)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
MAPK1 P28482 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
CYP3A4 P08684 2/20 0.52
HBB P68871 2/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 2/20 0.52
HIF1A Q16665 2/20 0.52
USP2 O75604 1/20 0.52
CHRM1 P11229 1/20 0.52
CYP2C9 P11712 1/20 0.52
DRD2 P14416 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
CHRM3 P20309 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A2 P23975 1/20 0.52

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
SCHEMBL21969607 0.82 MEN1 (0.42) MEN1KMT2AMAPK1TDP1CYP3A4
SCHEMBL13222949 0.77 MAPT (0.38) MEN1KMT2AMAPK1TDP1CYP3A4
SCHEMBL19225763 0.77 BACE1 (0.36) MEN1KMT2AMAPK1TDP1CYP3A4
SCHEMBL2608516 0.77 NOS2 (0.52) MEN1KMT2AMAPK1TDP1CYP3A4
SCHEMBL24024725 0.77 MEN1 (0.32) MEN1KMT2AMAPK1TDP1CYP3A4
SCHEMBL13347727 0.76 MEN1 (0.52) MEN1KMT2AMAPK1TDP1CYP3A4
SCHEMBL24228674 0.73 MEN1 (0.58) MEN1KMT2AMAPK1TDP1CYP3A4
SCHEMBL13233495 0.73 NNMT (0.40) MEN1KMT2AMAPK1TDP1LMNA
SCHEMBL13461982 0.73 EGLN2 (0.36) MEN1KMT2AMAPK1TDP1CYP3A4
SCHEMBL28232644 0.72 NQO1 (0.35) USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001089587-A2 AGENTS FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-29 WO claimed
EP-0943032-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN OR LIGNIN-CONTAINING MATERIALS, AND PROCESS FOR USING THE SAME CONSORTIUM ELEKTROCHEM IND (DE) 2000-09-13 EP claimed
EP-0943032-A1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES, AND PROCESS FOR USING THE SAME Consortium für elektrochemische Industrie GmbH (DE) 1999-09-22 EP claimed
WO-1998026127-A1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES, AND PROCESS FOR USING THE SAME Consortium für elektrochemische Industrie GmbH (DE) 1998-06-18 WO claimed
EP-2975026-A1 Method of nitrosation of organic compound DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2016-01-20 EP disclosed
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
US-7651979-B2 SUCH AS AMMINE (2-AMINO-3-PICOLINE) DICHLOROPLATINUM(II); EFFICIENCY AND SELECTIVITY FOR DESTROYING TRANSFORMED CELLS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-01-26 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
US-20060217281-A1 Oxidation system containing a macrocyclic metal complex, the production thereof and its use LANXESS B.V. (NL) 2006-09-28 US disclosed
EP-1685183-A2 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS Wacker Chemie AG (DE) 2006-08-02 EP disclosed
EP-1606447-A1 OXIDATION SYSTEM CONTAINING A MACROCYCLIC METAL COMPLEX, THE PRODUCTION THEREOF AND ITS USE Lanxess B.V. (NL) 2005-12-21 EP disclosed
WO-1999045379-A2 LIGAND SCREENING AND DESIGN BY X-RAY CRYSTALLOGRAPHY ABBOTT LABORATORIES (US) 1999-09-10 WO disclosed
WO-1999045389-A2 LIGAND SCREENING AND DESIGN BY X-RAY CRYSTALLOGRAPHY ABBOTT LAB (US) 1999-09-10 WO disclosed
EP-0913382-A1 Process for the preparation of aldehydes and ketones Consortium für elektrochemische Industrie GmbH (DE) 1999-05-06 EP disclosed
EP-0905306-A1 Multicomponent system for modifying, decomposing or bleaching lignin or lignin-containing materials and method of using this system Consortium für elektrochemische Industrie GmbH (DE) 1999-03-31 EP disclosed
EP-0885868-A1 Oxidation-process for the production of aldehydes and ketones in the presence of nitrogen-containing compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-23 EP disclosed
EP-0882814-A1 System and process for the electrochemical cleavage of compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-09 EP disclosed
WO-1998026127-A1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES, AND PROCESS FOR USING THE SAME Consortium für elektrochemische Industrie GmbH (DE) 1998-06-18 WO disclosed
US-4810782-A Di-ureadopyridines and their chelates THEODOROPULOS SPYROS (US) 1989-03-07 US disclosed