SCHEMBL3279975

SCHEMBL3279975

O=[N+]([O-])c1cc([N+](=O)[O-])c2nn(-c3ccc(N=Nc4ccc(Cl)c([N+](=O)[O-])c4)c([N+](=O)[O-])c3)[n+]([O-])c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
HSP90AA1 P07900 2/20 0.35
RECQL P46063 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KAT2B Q92831 1/20 0.33
GPR35 Q9HC97 1/20 0.32
PMM2 O15305 1/20 0.31
MPI P34949 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
VCAM1 P19320 1/20 0.31
PLA2G2A P14555 1/20 0.31
P2RY1 P47900 1/20 0.31
P2RY13 Q9BPV8 1/20 0.31

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
SCHEMBL3279970 1.00 MEN1 (0.35) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL3285337 0.91 MAPT (0.33) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL3285335 0.91 MAPT (0.33) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL3279922 0.88 KAT2B (0.41) MAPTALDH1A1POLBL3MBTL1KAT2B
SCHEMBL3279158 0.80 TSHR (0.39) MAPTALDH1A1POLBHSP90AA1GPR35
SCHEMBL3278811 0.78 LMNA (0.37) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL3283324 0.76 TDP1 (0.42) MEN1MAPTKMT2AALDH1A1HSP90AA1
SCHEMBL3279245 0.73 MEN1 (0.44) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL3277947 0.73 MEN1 (0.41) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL3283459 0.73 HSP90AA1 (0.44) MEN1MAPTKMT2AALDH1A1POLB

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