SCHEMBL5504381

SCHEMBL5504381

O=S(=O)(O)CCCNCCc1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 7/20 0.46
CNR1 P21554 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
SCN8A Q9UQD0 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
GRK3 P35626 1/20 0.38
DAO P14920 1/20 0.37
NR3C2 P08235 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL28521875 0.85 HDAC1 (0.49) CNR1HDAC1HDAC8NPSR1LIPG
SCHEMBL18240882 0.82 IDO1 (0.44) CNR1HDAC1HDAC8NPSR1DAO
SCHEMBL6009979 0.81 MPO (0.51) SLC2A1CNR1
SCHEMBL10278379 0.77 ADRB2 (0.41) CNR1HDAC1HDAC8SCN8ANPSR1
SCHEMBL353164 0.76 NQO2 (0.55) SLC2A1
SCHEMBL5503261 0.74 MEN1 (0.47) CNR1HDAC1HDAC8NPSR1KDM4E
SCHEMBL5544075 0.74 CNR1 (0.48) CNR1HDAC1HDAC8SCN8ALIPG
SCHEMBL28546770 0.74 HDAC1 (0.50) CNR1HDAC1HDAC8NPSR1LIPG
SCHEMBL5500210 0.73 KDM4E (0.49) CNR1HDAC1HDAC8SCN8ANR3C2
SCHEMBL2879992 0.72 AKR1B1 (0.50) HDAC1HDAC8NPSR1KDM4EALDH1A1

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