SCHEMBL3280651

SCHEMBL3280651

Cc1cc(C)c(-n2nc3cc(Cl)ccc3[n+]2[O-])cc1C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.33
MAPK14 Q16539 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
OPRM1 P35372 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
HTT P42858 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL3279686 0.86 ALDH1A1 (0.33) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL3279274 0.78 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10HPGDNPC1
SCHEMBL9182753 0.75 ESR1 (0.36) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL3278074 0.75 AHR (0.33) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3278042 0.75 NPC1 (0.45) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL7081279 0.74 SMN1; SMN2 (0.38) ALDH1A1HSD17B10POLBNPC1RAB9A
SCHEMBL3279392 0.74 NPC1 (0.38) ALDH1A1HSD17B10NPC1RAB9AMEN1
SCHEMBL9460732 0.72 NPC1 (0.36) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL9178179 0.71 HSP90AA1 (0.32)
SCHEMBL6856413 0.69

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