SCHEMBL3279988

SCHEMBL3279988

Nc1ccc(-n2nc3ccccc3[n+]2[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.61
NPC1 O15118 6/20 0.61
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 6/20 0.33
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
TSHR P16473 2/20 0.33
ACHE P22303 2/20 0.33
STAT1 P42224 1/20 0.33
HSD17B10 Q99714 4/20 0.33
TP53 P04637 3/20 0.33
HPGD P15428 3/20 0.33
GFER P55789 2/20 0.33
POLB P06746 2/20 0.33
KDM1A O60341 1/20 0.33
CASP6 P55212 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
SCHEMBL1263996 0.86 NPC1 (0.63) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL9725068 0.84 NPC1 (0.61) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL3285209 0.83 NPC1 (0.65) RAB9ANPC1ADORA3ADORA2AALDH1A1
SCHEMBL3278073 0.83 RAB9A (0.61) RAB9ANPC1ADORA3ADORA2AALDH1A1
SCHEMBL3280066 0.83 NPC1 (0.61) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL3279602 0.83 NPC1 (0.50) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL3278149 0.81 NPC1 (0.49) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL3283229 0.80 NPC1 (0.60) RAB9ANPC1ADORA3ADORA2AALDH1A1
SCHEMBL3279724 0.74 RAB9A (0.54) RAB9ANPC1ADORA3ADORA2AALDH1A1
SCHEMBL3280483 0.73 NPC1 (0.50) RAB9ANPC1ALDH1A1MAPTSMN1; 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 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