SCHEMBL3279724

SCHEMBL3279724

CC(=O)Oc1ccc(-n2nc3ccccc3[n+]2[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
NPSR1 Q6W5P4 2/20 0.44
GLA P06280 1/20 0.43
ELANE P08246 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
HSP90AA1 P07900 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ATM Q13315 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.36
ABCB11 O95342 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
SCHEMBL3285209 0.77 NPC1 (0.65) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL1263996 0.76 NPC1 (0.63) RAB9ANPC1ALDH1A1MAPTMEN1
SCHEMBL9725068 0.75 NPC1 (0.61) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL3279988 0.74 RAB9A (0.61) RAB9ANPC1ALDH1A1MAPTGAA
SCHEMBL3280066 0.74 NPC1 (0.61) RAB9ANPC1ALDH1A1MAPTGAA
SCHEMBL3278073 0.74 RAB9A (0.61) RAB9ANPC1NPSR1ALDH1A1MAPT
SCHEMBL3280483 0.68 NPC1 (0.50) RAB9ANPC1ALDH1A1MAPTGAA
SCHEMBL269329 0.65 LMNA (0.80) RAB9ANPSR1GLAELANEALDH1A1
Acetic Acid Phenyl Ester SCHEMBL35500 0.63 ELANE (0.72) NPSR1ELANEALDH1A1MAPTHSP90AA1
Acetic Acid Phenyl Ester SCHEMBL6422166 0.63 ELANE (0.72) NPSR1ELANEALDH1A1MAPTHSP90AA1

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 8 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
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-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