SCHEMBL3279875

SCHEMBL3279875

Cn1n[n+]([O-])c2cc(N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.39
KDM4E B2RXH2 7/20 0.36
MAPT P10636 6/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HTT P42858 3/20 0.36
HBB P68871 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
APEX1 P27695 1/20 0.36
CASP1 P29466 1/20 0.36
BRCA1 P38398 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
BRPF1 P55201 2/20 0.36
RAD52 P43351 1/20 0.36
ALDH1A1 P00352 6/20 0.35
GFER P55789 2/20 0.35

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
SCHEMBL13319196 0.79 MAPT (0.34) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL3285660 0.73 ATAD2 (0.42) KDM4EMAPTMEN1KMT2ACYP3A4
SCHEMBL531386 0.64 PRKCI (0.44) PRKCIKDM4EMAPTMEN1KMT2A
SCHEMBL1268245 0.64 MEN1 (0.33) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL6424657 0.62 ALDH1A1 (0.38) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL210242 0.62 NPC1 (0.54) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL378619 0.62 CHEK1 (0.57) PRKCIBRPF1CHEK1AURKADAPK3
SCHEMBL3655093 0.62 PRKCI (0.41) PRKCIKDM4EMAPTMEN1KMT2A
SCHEMBL30006507 0.62 CHEK1 (0.57) PRKCIBRPF1CHEK1AURKADAPK3
SCHEMBL3376205 0.60 ADORA2A (0.59) PRKCIKDM4EMAPTMEN1KMT2A

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