SCHEMBL6570796

SCHEMBL6570796

CCCC[n+]1ccn(C)c1.O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 12/20 0.32
PABPC1 P11940 1/20 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
SCHEMBL2400551 0.96 MEN1 (0.36) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL6570792 0.95 MEN1 (0.36) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Trifluoroacetic Acid SCHEMBL302072 0.87 MEN1 (0.37) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL27634049 0.85 MEN1 (0.33) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL2399537 0.83 MEN1 (0.31) MEN1HSP90AA1KMT2ASMN1; SMN2
Pivalate SCHEMBL18575128 0.83 MEN1 (0.38) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Bicarbonate SCHEMBL5032083 0.82 MEN1 (0.41) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Trifluoroacetic Acid SCHEMBL3764707 0.82 MEN1 (0.41) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Trifluoroacetic Acid SCHEMBL6662101 0.82 MEN1 (0.41) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Trichloroacetic Acid SCHEMBL28481122 0.81 MEN1 (0.37) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS

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
EP-1182196-B1 Halogen-free preparation of ionic fluids SOLVENT INNOVATION GMBH (DE) 2004-06-30 EP disclosed
EP-1182196-A1 Halogenide-free preparation of ionic fluids Solvent Innovation GmbH (DE) 2002-02-27 EP disclosed