SCHEMBL924657

SCHEMBL924657

CC(c1ccccc1)[n+]1ccn(C)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
APAF1 O14727 1/20 0.32
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL925000 0.82 KMT2A (0.35) MAPTKDM4EAPAF1NSD2KMT2A
Trifluoromethanesulfonic Acid SCHEMBL6500928 0.73 KDM4E (0.34) MAPTKDM4EAPAF1NSD2
Trifluoromethanesulfonic Acid SCHEMBL6500935 0.73 KDM4E (0.34) MAPTKDM4EAPAF1NSD2
Trifluoromethanesulfonic Acid SCHEMBL2830948 0.72 KCNH2 (0.34) MAPTALDH1A1MAPK1HTTKMT2A
SCHEMBL29506758 0.71
SCHEMBL29394101 0.70
SCHEMBL2942109 0.69
SCHEMBL459210 0.67
SCHEMBL28491835 0.67
SCHEMBL372353 0.67

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
EP-2252672-B1 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT ESSILOR INT (FR) 2019-02-20 EP claimed
US-8411347-B2 Composition comprising photochromic dyes in an ionic solvent ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2013-04-02 US claimed
US-20110013252-A1 COMPOSITION COMPRISING PHOTOCHROMIC DYES IN AN IONIC SOLVENT Essilor International (compagnie Generale D'optiqu e (FR) 2011-01-20 US claimed
US-20230374230-A1 CROSSLINKED GEL FORMULATION ESSILOR INTERNATIONAL (FR) 2023-11-23 US 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
US-8411347-B2 Composition comprising photochromic dyes in an ionic solvent ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2013-04-02 US 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