SCHEMBL3286099

SCHEMBL3286099

Cc1ccc2nn(-c3ccccc3C)[n+]([O-])c2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
NQO2 P16083 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
MPI P34949 2/20 0.31
PHOSPHO1 Q8TCT1 2/20 0.31
PMM2 O15305 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
CBFB Q13951 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
SCHEMBL3285898 0.86 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL3283327 0.84 NPC1 (0.50) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL3285280 0.82 RAB9A (0.48) ALDH1A1KDM4ERAB9ANPC1NQO2
SCHEMBL3280745 0.81 NPBWR1 (0.44) ALDH1A1HPGDRAB9ANPC1LMNA
SCHEMBL3278288 0.78 NPC1 (0.41) ALDH1A1HPGDRAB9ANPC1L3MBTL1
SCHEMBL3283291 0.76 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10RAB9ANPC1
SCHEMBL3279483 0.75 KMT2A (0.45) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL7081592 0.74 NPC1 (0.56) ALDH1A1KDM4EHPGDRAB9ANPC1
SCHEMBL3283318 0.73 NPC1 (0.43) ALDH1A1KDM4EHPGDHSD17B10RAB9A
SCHEMBL3279002 0.73 MAPT (0.40) ALDH1A1KDM4ERAB9ANPC1LMNA

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 11 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-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