SCHEMBL3279562

SCHEMBL3279562

Cc1cc(C)c(-n2nc3ccc([N+](=O)[O-])cc3[n+]2[O-])cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 2/20 0.43
NPBWR1 P48145 4/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RAB9A P51151 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 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
SCHEMBL3279483 0.88 KMT2A (0.45) ALDH1A1TDP1TSHRNPBWR1NPC1
SCHEMBL3282424 0.88 NPBWR1 (0.46) ALDH1A1TDP1NPBWR1NPC1SMN1; SMN2
SCHEMBL3280745 0.86 NPBWR1 (0.44) ALDH1A1TDP1TSHRNPBWR1NPC1
SCHEMBL3279945 0.83 GAA (0.47) ALDH1A1TDP1TSHRSMN1; SMN2MAPK1
SCHEMBL3278953 0.81 MAPT (0.51) ALDH1A1NPBWR1NPC1SMN1; SMN2MAPK1
SCHEMBL7896311 0.80 NPBWR1 (0.40) ALDH1A1NPBWR1NPC1SMN1; SMN2MAPT
SCHEMBL3279977 0.79 ALDH1A1 (0.38) ALDH1A1TDP1TSHRNPC1SMN1; SMN2
SCHEMBL3280507 0.77 NPC1 (0.49) ALDH1A1NPBWR1NPC1SMN1; SMN2MAPK1
SCHEMBL3280256 0.77 KMT2A (0.42) ALDH1A1NPBWR1NPC1SMN1; SMN2MAPT
SCHEMBL3278546 0.75 MEN1 (0.45) ALDH1A1NPBWR1NPC1SMN1; SMN2MAPK1

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 7 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-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