SCHEMBL3688852

SCHEMBL3688852

O=S(=O)(CCCc1cccc(C(F)(F)CF)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 7/20 0.61
PKM P14618 3/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2C9 P11712 1/20 0.45
EDNRA P25101 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SCN9A Q15858 3/20 0.43
ALOX12 P18054 1/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL3065605 0.91 SCN3A (0.70) SCN3APKMALDH1A1LMNAKDM4E
SCHEMBL3068460 0.86 SCN3A (0.77) SCN3APKMALDH1A1LMNAKDM4E
SCHEMBL3688855 0.85 SCN3A (0.61) SCN3APKMALDH1A1LMNAKDM4E
SCHEMBL3056051 0.81 SCN3A (0.65) SCN3APKMALDH1A1LMNAKDM4E
SCHEMBL3062720 0.81 SCN3A (0.90) SCN3APKMALDH1A1LMNAKDM4E
SCHEMBL3058171 0.80 SCN3A (0.64) SCN3APKMALDH1A1LMNAKDM4E
SCHEMBL3073750 0.78 SCN3A (0.64) SCN3APKMALDH1A1LMNAKDM4E
SCHEMBL3061126 0.76 SCN3A (0.73) SCN3APKMALDH1A1LMNAKDM4E
SCHEMBL3058178 0.76 SCN3A (0.61) SCN3ASCN9A
SCHEMBL3060426 0.76 SCN3A (1.00) SCN3APKMALDH1A1LMNAKDM4E

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-2175728-A1 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-21 EP disclosed
WO-2009012241-A1 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 WO disclosed