SCHEMBL6570792

SCHEMBL6570792

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
HSP90AA1 P07900 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
APAF1 O14727 1/20 0.34
RGS12 O14924 1/20 0.34
MAPK1 P28482 1/20 0.34
FDPS P14324 7/20 0.34

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
SCHEMBL6570796 0.95 MEN1 (0.33) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
SCHEMBL2400551 0.91 MEN1 (0.36) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Trifluoroacetic Acid SCHEMBL6662101 0.87 MEN1 (0.41) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Trifluoroacetic Acid SCHEMBL3764707 0.87 MEN1 (0.41) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bicarbonate SCHEMBL28733245 0.83 MEN1 (0.46) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bicarbonate SCHEMBL28939212 0.83 MEN1 (0.46) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Trifluoroacetic Acid SCHEMBL302072 0.82 MEN1 (0.37) MEN1HSP90AA1KMT2ASMN1; SMN2FDPS
Bicarbonate SCHEMBL23698434 0.82 MEN1 (0.44) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bicarbonate SCHEMBL23698436 0.82 ABCB11 (0.44) MEN1HSP90AA1KMT2ASMN1; SMN2
Acetic Acid SCHEMBL3140598 0.82 MEN1 (0.48) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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