SCHEMBL924656

SCHEMBL924656

C[n+]1ccn(CCc2ccccc2)c1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ APAF1 O14727 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PLA2G1B P04054 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATG4B Q9Y4P1 1/20 0.34
▸ THRB P10828 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ BLM P54132 1/20 0.33

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
SCHEMBL29791623 0.88 PON1 (0.38) SMN1; SMN2MAPTNPSR1MEN1APAF1
SCHEMBL925001 0.83 KMT2A (0.46) BCHEACHESMN1; SMN2MAPTNPSR1
Hydrochloric Acid SCHEMBL8137482 0.81 KMT2A (0.45) BCHEACHESMN1; SMN2MAPTNPSR1
Trifluoromethanesulfonic Acid SCHEMBL2830949 0.81 NPSR1 (0.40) ACHESMN1; SMN2MAPTNPSR1MEN1
SCHEMBL29395782 0.80 SMN1; SMN2 (0.46) SMN1; SMN2MAPTNPSR1MEN1APAF1
SCHEMBL3678674 0.79 SMN1; SMN2 (0.39) SMN1; SMN2MAPTNPSR1MEN1APAF1
SCHEMBL3675843 0.79 SMN1; SMN2 (0.36) SMN1; SMN2MAPTNPSR1MEN1APAF1
SCHEMBL29450332 0.78 MEN1 (0.55) SMN1; SMN2MAPTNPSR1MEN1APAF1
SCHEMBL625417 0.78 MEN1 (0.55) SMN1; SMN2MAPTNPSR1MEN1APAF1
SCHEMBL372352 0.77 SMN1; SMN2 (0.38) SMN1; SMN2MAPTNPSR1MEN1APAF1

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
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