SCHEMBL6570797

SCHEMBL6570797

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
HSP90AA1 P07900 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
APAF1 O14727 1/20 0.50
NPC1 O15118 1/20 0.50
PLA2G1B P04054 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
FDPS P14324 17/20 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
SCHEMBL1172730 0.96 MEN1 (0.51) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL6570793 0.95 MEN1 (0.58) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Trifluoroacetic Acid SCHEMBL302073 0.87 MEN1 (0.58) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL1171692 0.83 FDPS (0.39) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Pivalate SCHEMBL18575129 0.83 MEN1 (0.59) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bicarbonate SCHEMBL5032085 0.82 SMN1; SMN2 (0.67) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Trifluoroacetic Acid SCHEMBL3764708 0.82 MEN1 (0.68) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Trifluoroacetic Acid SCHEMBL6662106 0.82 MEN1 (0.68) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bicarbonate SCHEMBL2127082 0.81 MEN1 (0.65) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Acetic Acid SCHEMBL35016 0.81 MEN1 (0.65) 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