SCHEMBL3027845

SCHEMBL3027845

CCCCn1cc[n+](C)c1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
APAF1 O14727 1/20 0.48
NPC1 O15118 1/20 0.48
PLA2G1B P04054 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
FDPS P14324 3/20 0.35
KCNH2 Q12809 6/20 0.33
ADORA2B P29275 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL3038116 0.88 CA1 (0.35) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL4457301 0.85 MAPT (0.52) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL2230708 0.85 HTT (0.52) MEN1APAF1NPC1PLA2G1BHSP90AA1
Lithium SCHEMBL30985259 0.84 HTT (0.51) MEN1APAF1NPC1PLA2G1BHSP90AA1
Trifluoromethanesulfonic Acid SCHEMBL29390371 0.82 MEN1 (0.58) MEN1APAF1NPC1PLA2G1BHSP90AA1
Trifluoromethanesulfonic Acid SCHEMBL294105 0.82 MEN1 (0.58) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL7462985 0.81 MEN1 (0.61) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL7457714 0.81 MEN1 (0.61) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL14720371 0.81 HTT (0.61) MEN1APAF1NPC1PLA2G1BHSP90AA1
SCHEMBL7463637 0.81 MEN1 (0.61) MEN1APAF1NPC1PLA2G1BHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8591757-B2 Electrolyte composition and ionic liquid KANEKA CORPORATION (JP) 2013-11-26 US disclosed
US-20100213402-A1 ELECTROLYTE COMPOSITION AND IONIC LIQUID KANEKA CORPORATION (JP) 2010-08-26 US disclosed