SCHEMBL3278147

SCHEMBL3278147

O=[N+]([O-])c1cc([N+](=O)[O-])c2nn(-c3ccc(NNc4ccc(Cl)cc4)c([N+](=O)[O-])c3)[n+]([O-])c2c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.37
MAPK1 P28482 6/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
TDP1 Q9NUW8 5/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
AHR P35869 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
PKM P14618 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL5921932 0.90 MEN1 (0.38) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL3285857 0.90 L3MBTL1 (0.39) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL3278811 0.85 LMNA (0.37) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL3279922 0.81 KAT2B (0.41) MAPTL3MBTL1ALDH1A1POLB
SCHEMBL3283324 0.79 TDP1 (0.42) MAPTMEN1KMT2ATDP1SMN1; SMN2
SCHEMBL3279158 0.79 TSHR (0.39) MAPTMAPK1TDP1ALDH1A1POLB
SCHEMBL3285337 0.79 MAPT (0.33) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL3285335 0.79 MAPT (0.33) MAPTMAPK1MEN1KMT2ATDP1
SCHEMBL3277947 0.74 MEN1 (0.41) MAPTMAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL3279245 0.74 MEN1 (0.44) MAPTMEN1KMT2ATDP1SMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US 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
US-6297403-B1 OXIDATION OF A (DI)ARYL METHANE OR METHYLENE DERIVATIVE IN PRESENCE OF AN AMINE OXIDE OR HYDROXYAMINE DERIVATIVE MEDIATOR; BY-PRODUCT INHIBITION Consortium für elektrochemische Industrie GmbH (DE) 2001-10-02 US disclosed
US-6187170-B1 SYSTEM FOR THE ELECTROCHEMICAL CLEAVAGE OF COMPOUNDS WHICH INCLUDES A MEDIATOR AND AT LEAST TWO ELECTRODES FOR THE ELECTROCHEMICAL ACTIVATION OF THE MEDIATOR Consortium für elektrochemische Industrie GmbH (DE) 2001-02-13 US disclosed
US-6169213-B1 REACTING A HETEROARYL METHANOL WITH AN OXIDANT AND A MEDIATOR CONTAINING AMINO OXIDE GROUP TO FORM HETEROARYL ALDEHYDE OR A HETEROARYL KETONE Consortium f{umlaut over (u)}r elektrochemische Industrie GmbH (DE) 2001-01-02 US disclosed
US-6069282-A REACTION OF VINYL-, ALKYNYL- OR ARYL-METHANOLS WITH THE AID OF A MEDIATOR AND AN OXIDANT, WHEREIN THE MEDIATOR IS SELECTED FROM THE GROUP OF THE ALIPHATIC, CYCLOALIPHATIC, HETEROCYCLIC OR AROMATIC NO OR NOH CONTAINING COMPOUNDS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 2000-05-30 US disclosed
US-6023000-A Process for the preparation of aldehydes and ketones Consortium fur elektrochemisch Industrie GmbH (DE) 2000-02-08 US disclosed