SCHEMBL3286104

SCHEMBL3286104

[O-][n+]1c2ccc(Br)cc2nn1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
CASP6 P55212 1/20 0.36
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRA6 Q16445 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 2/20 0.31
HTT P42858 2/20 0.31
CYP1A2 P05177 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
SCHEMBL3278869 0.88 NPC1 (0.45) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL3278042 0.81 NPC1 (0.45) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL3280066 0.81 NPC1 (0.61) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL1263996 0.80 NPC1 (0.63) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL9725068 0.78 NPC1 (0.61) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL14281094 0.78 NPC1 (0.43) NPC1RAB9AMAPTHPGDALDH1A1
SCHEMBL3278149 0.72 NPC1 (0.49) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL3285280 0.72 RAB9A (0.48) NPC1RAB9AMAPTSMN1; SMN2TSHR
SCHEMBL3278074 0.70 AHR (0.33) KDM4EHPGDALDH1A1HSD17B10AHR
SCHEMBL3283738 0.68 CA12 (0.40) NPC1RAB9AMAPTSMN1; SMN2TSHR

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 12 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-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
CN-1205366-A System for electrochemical delignification of lignincontaining materials and process for its application CONSORTIUM FURE ELEKTROCHEMISC (DE) 1999-01-20 CN 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