SCHEMBL3280741

SCHEMBL3280741

Cc1cccc(-n2nc3c(C)cccc3[n+]2[O-])c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
KMT2A Q03164 3/20 0.36
HSP90AA1 P07900 1/20 0.35
MGLL Q99685 1/20 0.35
RPA1 P27694 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
MAPK1 P28482 1/20 0.33
ADRB1 P08588 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MEN1 O00255 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL3278288 0.78 NPC1 (0.41) ALDH1A1L3MBTL1KMT2AHSP90AA1MGLL
SCHEMBL3283329 0.77 ALDH1A1 (0.43) ALDH1A1L3MBTL1KMT2AMGLLNPC1
SCHEMBL3279002 0.68 MAPT (0.40) ALDH1A1KMT2ANPC1RAB9ALMNA
SCHEMBL3285280 0.67 RAB9A (0.48) ALDH1A1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL3279602 0.63 NPC1 (0.50) ALDH1A1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL3285209 0.63 NPC1 (0.65) ALDH1A1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL3286099 0.62 ALDH1A1 (0.38) ALDH1A1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL9725068 0.59 NPC1 (0.61) ALDH1A1NPC1RAB9AHPGDMAPT
SCHEMBL23400202 0.58 ADORA3 (0.47) ALDH1A1L3MBTL1KMT2AHSP90AA1MGLL
SCHEMBL16355305 0.58 KDM4E (0.59) ALDH1A1L3MBTL1KMT2AHSP90AA1MGLL

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