SCHEMBL3279686

SCHEMBL3279686

Cc1ccc(C)c(-n2nc3cc(Cl)ccc3[n+]2[O-])c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 3/20 0.33
TERT O14746 1/20 0.32
HCAR1 Q9BXC0 2/20 0.32
TP53 P04637 2/20 0.32
NPBWR1 P48145 1/20 0.32
MCHR1 Q99705 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
FBP1 P09467 1/20 0.31
LMNA P02545 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 2/20 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
SCHEMBL7081279 0.77 SMN1; SMN2 (0.38) ALDH1A1HSD17B10POLBTERTTP53
SCHEMBL3279274 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EHSD17B10HPGDTP53
SCHEMBL9460248 0.76 NPC1 (0.48) ALDH1A1KDM4EHSD17B10HPGDTP53
SCHEMBL9460732 0.75 NPC1 (0.36) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL3278074 0.73 AHR (0.33) ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9182753 0.73 ESR1 (0.36) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL3278042 0.73 NPC1 (0.45) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL3279483 0.72 KMT2A (0.45) ALDH1A1HSD17B10HPGDPOLBNPBWR1
SCHEMBL3283318 0.70 NPC1 (0.43) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL3286099 0.70 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10HPGDLMNA

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 6 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-6023000-A Process for the preparation of aldehydes and ketones Consortium fur elektrochemisch Industrie GmbH (DE) 2000-02-08 US disclosed