SCHEMBL2227547

SCHEMBL2227547

CCCCCCCCn1cc[n+](C)c1C.CCCCCCCCn1cc[n+](C)c1C.CCCCCCCCn1cc[n+](C)c1C.CCCCCCCCn1cc[n+](C)c1C.CCCCCCCCn1cc[n+](C)c1C.CCCCCCCCn1cc[n+](C)c1C.CCCCCCCCn1cc[n+](C)c1C.CCCCCCCCn1cc[n+](C)c1C.CCCCCCCCn1cc[n+](C)c1C.CCCCCCCCn1cc[n+](C)c1C.CCCCCCCCn1cc[n+](C)c1C.CCCCCCCCn1cc[n+](C)c1C.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F.O=P([O-])([O-])F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 2/20 0.46
EEF2 P13639 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PLK4 O00444 1/20 0.46
JAK2 O60674 1/20 0.46
EGFR P00533 1/20 0.46
TYK2 P29597 1/20 0.46
FLT3 P36888 1/20 0.46
BLM P54132 1/20 0.46
ITK Q08881 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
FDPS P14324 13/20 0.39
APAF1 O14727 1/20 0.39
NPC1 O15118 1/20 0.39
PLA2G1B P04054 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL2230166 1.00 EEF2K (0.46) EEF2KEEF2MEN1KMT2APLK4
SCHEMBL2229148 1.00 EEF2K (0.46) EEF2KEEF2MEN1KMT2APLK4
SCHEMBL2230206 1.00 EEF2K (0.46) EEF2KEEF2MEN1KMT2APLK4
SCHEMBL2228634 1.00 EEF2K (0.46) EEF2KEEF2MEN1KMT2APLK4
SCHEMBL2228877 0.99 EEF2K (0.44) EEF2KEEF2MEN1KMT2APLK4
SCHEMBL2230997 0.94 EEF2K (0.39) EEF2KEEF2MEN1KMT2APLK4
SCHEMBL2228560 0.88 ACHE (0.37) EEF2KEEF2MEN1KMT2APLK4
SCHEMBL15348252 0.88 ACHE (0.37) EEF2KEEF2MEN1KMT2APLK4
SCHEMBL5287245 0.88 KMT2A (0.55) EEF2KEEF2MEN1KMT2APLK4
SCHEMBL1826845 0.88 KMT2A (0.55) EEF2KEEF2MEN1KMT2APLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730157-B1 IONIC LIQUIDS COMPRISING FLUORALKYLTRIFFLUOROBORATE ANIONS MERCK PATENT GMBH (DE) 2011-07-27 EP disclosed