SCHEMBL3279859

SCHEMBL3279859

O=[N+]([O-])c1ccc(-n2nc3cc(Cl)ccc3[n+]2[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.44
HTT P42858 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 6/20 0.39
ALDH1A1 P00352 4/20 0.39
NLRP3 Q96P20 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 1/20 0.38
MCL1 Q07820 1/20 0.38
KAT2B Q92831 1/20 0.38
NPBWR1 P48145 4/20 0.38
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
MIF P14174 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3278546 0.84 MEN1 (0.45) NPC1HTTSMN1; SMN2LMNAMAPT
SCHEMBL3278042 0.80 NPC1 (0.45) NPC1SMN1; SMN2KDM4ELMNAMAPT
SCHEMBL3279392 0.79 NPC1 (0.38) NPC1HTTSMN1; SMN2LMNAMAPT
SCHEMBL3279235 0.77 ALDH1A1 (0.48) NPC1HTTSMN1; SMN2LMNAMAPT
SCHEMBL3278811 0.74 LMNA (0.37) NPC1HTTSMN1; SMN2LMNAMAPT
SCHEMBL3283383 0.74 MMP13 (0.40) NPC1HTTSMN1; SMN2KDM4ELMNA
SCHEMBL3278953 0.74 MAPT (0.51) NPC1HTTSMN1; SMN2LMNAMAPT
SCHEMBL3039249 0.73 NPC1 (0.53) NPC1HTTSMN1; SMN2KDM4ELMNA
SCHEMBL3280507 0.73 NPC1 (0.49) NPC1SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL3280057 0.71 MAPT (0.34) NPC1HTTSMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US claimed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 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
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 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