SCHEMBL3278070

SCHEMBL3278070

Cc1ccc(C)c(-n2nc3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[n+]2[O-])c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.41
KMT2A Q03164 10/20 0.41
MAPT P10636 6/20 0.39
MITF O75030 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 7/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 2/20 0.37

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
SCHEMBL3282839 0.91 MEN1 (0.41) MEN1KMT2AMAPTMITFSMN1; SMN2
SCHEMBL3279057 0.87 ALDH1A1 (0.49) MEN1KMT2AMAPTMITFSMN1; SMN2
SCHEMBL3279977 0.87 ALDH1A1 (0.38) MEN1KMT2AMAPTMITFSMN1; SMN2
SCHEMBL3277947 0.84 MEN1 (0.41) MEN1KMT2AMAPTMITFSMN1; SMN2
SCHEMBL3279546 0.83 GAA (0.46) MEN1KMT2AMAPTMITFSMN1; SMN2
SCHEMBL3279483 0.81 KMT2A (0.45) MEN1KMT2AMAPTMITFSMN1; SMN2
SCHEMBL7896771 0.78 ALDH1A1 (0.36) MEN1KMT2AMAPTMITFSMN1; SMN2
SCHEMBL3279173 0.78 ALDH1A1 (0.47) MEN1KMT2AMITFSMN1; SMN2NPSR1
SCHEMBL3283459 0.77 HSP90AA1 (0.44) MEN1KMT2AMAPTMITFSMN1; SMN2
SCHEMBL3280398 0.76 TDP1 (0.46) MEN1KMT2AMAPTMITFALDH1A1

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