SCHEMBL2491671

SCHEMBL2491671

CCCCNS(=O)(=O)NCC(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.59
CA2 P00918 5/20 0.59
CA12 O43570 3/20 0.59
CA14 Q9ULX7 3/20 0.59
CA7 P43166 2/20 0.59
PPARA Q07869 4/20 0.47
EPHX1 P07099 1/20 0.43
CA9 Q16790 1/20 0.38
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CES1 P23141 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
SCHEMBL2485168 0.89 CA1 (0.63) CA1CA2CA12CA14CA7
SCHEMBL2491238 0.82 CA1 (0.68) CA1CA2CA12CA14CA7
Butyl(Butylsulfamoyl)Amine SCHEMBL2486301 0.77 CA1 (1.00) CA1CA2CA12CA14CA7
SCHEMBL19042175 0.73 EPHX1 (0.56) CA1CA2CA12CA14CA7
SCHEMBL16622190 0.71 EPHX1 (0.55) CA1CA2CA12CA14CA7
SCHEMBL10445370 0.70 EPHX1 (0.53) CA1CA2CA12CA14CA7
SCHEMBL3177043 0.70 EPHX1 (0.53) CA1CA2CA12CA14CA7
SCHEMBL9068350 0.70 EPHX1 (0.53) CA1CA2CA12CA14CA7
SCHEMBL4563383 0.70 PPARA (0.86) CA1CA2CA12CA14CA7
SCHEMBL19042170 0.68 EPHX1 (0.66) CA1CA2CA12CA14CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2380882-B1 Salts of heterocyclic anions and their uses as ionic conductive materials HYDRO QUEBEC (CA) 2012-08-15 EP disclosed
EP-2380882-A1 Salts of heterocyclic anions and their uses as ionic conductive materials HYDRO QUEBEC (CA) 2011-10-26 EP disclosed
US-6365068-B1 IN SOLVENT HYDRO-QUEBEC (CA) 2002-04-02 US disclosed
US-6171522-B1 Heterocyclic aromatic anion salts, and their uses as ionic conducting materials Hydro-Qu{acute over (e)}bec (CA) 2001-01-09 US disclosed
EP-0850932-A1 Salts of heterocyclic anions and their uses as ionic conductive materials CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1998-07-01 EP disclosed