SCHEMBL5509286

SCHEMBL5509286

CCN(CCCS(=O)(=O)O)c1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
HSP90AA1 P07900 1/20 0.34
CYP2C9 P11712 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NOS2 P35228 1/20 0.32
MPO P05164 1/20 0.32
SLC6A4 P31645 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL243317 0.83 CYP2C19 (0.37) CNR2ALDH1A1KMT2ACYP2C19MEN1
SCHEMBL4614224 0.81 ALDH1A1 (0.43) CNR2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL9551526 0.81 CYP2C19 (0.36) CNR2ALDH1A1KMT2ACYP2C19MEN1
SCHEMBL9446177 0.81 CNR2 (0.35) CNR2ALDH1A1KMT2ACYP2C19MEN1
SCHEMBL244699 0.79 MAPT (0.37) CNR2ALDH1A1KMT2ACYP2C19MEN1
SCHEMBL19212269 0.78 CYP3A4 (0.39) CNR2ALDH1A1KMT2AMEN1HPGD
SCHEMBL5529306 0.78 MAPT (0.36) CNR2ALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL29387582 0.78 CYP1A2 (0.51) CNR2ALDH1A1KMT2ACYP2C19MEN1
SCHEMBL5526466 0.78 MAPT (0.36) CNR2ALDH1A1KMT2AL3MBTL1TDP1
SCHEMBL1145069 0.78 GPR84 (0.43) CNR2TRPV1CYP3A4SRC

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-1828111-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-05 EP disclosed
WO-2006059252-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-08 WO disclosed