SCHEMBL935685

SCHEMBL935685

C[N+](C)(CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 2/20 0.56
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM3 P20309 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
ATM Q13315 1/20 0.41
CYP2A6 P11509 1/20 0.41
HTR2A P28223 1/20 0.41

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
Iodide SCHEMBL28878860 0.98 DNM1 (0.58) DNM1MEN1KMT2ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL23119976 0.98 MEN1 (0.61) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL13567368 0.98 DNM1 (0.58) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL21211344 0.92 ALDH1A1 (0.63) DNM1MEN1KMT2ASMN1; SMN2TP53
Sulfuric Acid SCHEMBL27581443 0.89 DNM1 (0.50) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL10359888 0.88 TDP1 (0.48) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL5963139 0.88 DNM1 (0.67) DNM1MEN1KMT2ASMN1; SMN2TP53
Bromide SCHEMBL2355283 0.86 DNM1 (0.68) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL12762153 0.84 DNM1 (0.81) DNM1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL28202434 0.83 SRD5A2 (0.45) DNM1MEN1KMT2ASMN1; SMN2TP53

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252672-B1 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT ESSILOR INT (FR) 2019-02-20 EP claimed
CN-102015960-B Composition comprising photochromic dyes in ionic solvents ESSILOR INT 2014-11-19 CN claimed
CN-102361902-A Prepreg and molded body produced therefrom at low temperature EVONIK DEGUSSA GMBH 2012-02-22 CN claimed
CN-102015960-A Composition comprising photochromic dyes in ionic solvents ESSILOR INT 2011-04-13 CN claimed
EP-2252672-A2 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT Essilor International (Compagnie Générale D'Optique) (FR) 2010-11-24 EP claimed
WO-2009115721-A2 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2009-09-24 WO claimed
US-20230374230-A1 CROSSLINKED GEL FORMULATION ESSILOR INTERNATIONAL (FR) 2023-11-23 US disclosed
CN-116761848-A Crosslinked gel formulations 依视路国际公司 2023-09-15 CN disclosed
WO-2022078935-A1 CROSSLINKED GEL FORMULATION ESSILOR INTERNATIONAL (FR) 2022-04-21 WO disclosed
EP-3985046-A1 CROSSLINKED GEL FORMULATION ESSILOR INTERNATIONAL (FR) 2022-04-20 EP disclosed
EP-2252672-B1 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT ESSILOR INT (FR) 2019-02-20 EP disclosed
CN-102015960-B Composition comprising photochromic dyes in ionic solvents ESSILOR INT 2014-11-19 CN disclosed
US-8411347-B2 Composition comprising photochromic dyes in an ionic solvent ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2013-04-02 US disclosed
CN-102015960-A Composition comprising photochromic dyes in ionic solvents ESSILOR INT 2011-04-13 CN disclosed
US-20110013252-A1 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT Essilor International (compagnie Generale D'optiqu e (FR) 2011-01-20 US disclosed
EP-2252672-A2 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT Essilor International (Compagnie Générale D'Optique) (FR) 2010-11-24 EP disclosed
US-20090259013-A1 LIQUID CRYSTAL POLY(PHENYLENE DISULFONIC ACIDS) CASE WESTERN RESERVE UNIVERSITY 2009-10-15 US disclosed
WO-2009115721-A2 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2009-09-24 WO disclosed