SCHEMBL2228836

SCHEMBL2228836

CCn1cc[n+](C)c1C.CCn1cc[n+](C)c1C.CCn1cc[n+](C)c1C.CCn1cc[n+](C)c1C.CCn1cc[n+](C)c1C.CCn1cc[n+](C)c1C.CCn1cc[n+](C)c1C.CCn1cc[n+](C)c1C.CCn1cc[n+](C)c1C.CCn1cc[n+](C)c1C.CCn1cc[n+](C)c1C.CCn1cc[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 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ACHE P22303 2/20 0.39
MAPT P10636 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
FDPS P14324 2/20 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
SCHEMBL15348295 1.00 LMNA (0.40) LMNAHPGDHTTSMN1; SMN2ACHE
SCHEMBL486606 0.92 LMNA (0.38) LMNAHPGDHTTSMN1; SMN2ACHE
SCHEMBL2228560 0.87 ACHE (0.37) LMNAHPGDHTTSMN1; SMN2ACHE
SCHEMBL15348252 0.87 ACHE (0.37) LMNAHPGDHTTSMN1; SMN2ACHE
Phosphoric Acid SCHEMBL25379989 0.86 ACHE (0.41) LMNAHPGDHTTSMN1; SMN2ACHE
SCHEMBL1628231 0.85 ACHE (0.39) LMNAHPGDHTTSMN1; SMN2ACHE
SCHEMBL28394690 0.85 ACHE (0.47) LMNAHPGDHTTSMN1; SMN2ACHE
SCHEMBL294564 0.85
SCHEMBL2230997 0.84 EEF2K (0.39) ACHEFDPS
SCHEMBL2750164 0.84 ACHE (0.38) LMNAHPGDHTTSMN1; SMN2ACHE

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