SCHEMBL3280197

SCHEMBL3280197

O=[N+]([O-])c1cccc(-n2nc3ccccc3[n+]2[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.50
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SCN2A Q99250 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HPN P05981 1/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
LMNA P02545 3/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41

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
Dinitrophenylene SCHEMBL27511127 0.93 NPC1 (0.48) FGFR1NPC1RAB9AMAPTMEN1
Dinitrophenylene SCHEMBL27653160 0.86 NPC1 (0.50) FGFR1NPC1RAB9AMAPTMEN1
SCHEMBL3280507 0.82 NPC1 (0.49) FGFR1NPC1RAB9AMAPTMEN1
Dinitrophenylene SCHEMBL27653223 0.81 ALDH1A1 (0.42) FGFR1NPC1RAB9AMAPTMEN1
SCHEMBL3279235 0.81 ALDH1A1 (0.48) FGFR1NPC1RAB9AMAPTMEN1
SCHEMBL3280483 0.80 NPC1 (0.50) FGFR1NPC1RAB9AMAPTIDO1
SCHEMBL1263996 0.77 NPC1 (0.63) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL3279602 0.77 NPC1 (0.50) FGFR1NPC1RAB9AMAPTMEN1
SCHEMBL3278888 0.77 RAB9A (0.44) FGFR1NPC1RAB9AMAPTMEN1
SCHEMBL9725068 0.76 NPC1 (0.61) NPC1RAB9AMAPTKDM4ETSHR

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 10 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
CN-100528937-C Method for producing carbonyl rest-containing organosilicon compounds WACKER CHEMIE GMBH (DE) 2009-08-19 CN 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
CN-1906230-A Method for producing carbonyl group-containing organosilicon compound WACKER CHEMIE GMBH (DE) 2007-01-31 CN 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-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
CN-1205366-A System for electrochemical delignification of lignincontaining materials and process for its application CONSORTIUM FURE ELEKTROCHEMISC (DE) 1999-01-20 CN disclosed