SCHEMBL3806281

SCHEMBL3806281

COc1ccc(Cc2c(C)c(F)c(N)c(F)c2S(=O)(=O)Nc2nccs2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.47
PKM P14618 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SCN9A Q15858 11/20 0.44
SCN5A Q14524 1/20 0.41
SCN1A P35498 2/20 0.40
SCN8A Q9UQD0 2/20 0.40
TP53 P04637 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 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
SCHEMBL712061 0.71 SCN9A (0.56) ALOX12PKMALDH1A1MEN1KMT2A
SCHEMBL712133 0.71 ALOX12 (0.63) ALOX12PKMALDH1A1MEN1KMT2A
SCHEMBL28338487 0.71 SCN1A (0.57) SCN9ASCN5ASCN1ASCN8A
SCHEMBL28335404 0.69 SCN1A (0.57) SCN9ASCN5ASCN1ASCN8A
SCHEMBL15211773 0.69 PKM (0.65) ALOX12PKMALDH1A1MEN1KMT2A
SCHEMBL28762162 0.67 CA2 (0.46) ALDH1A1TP53
SCHEMBL322837 0.67 GAA (0.60) ALOX12ALDH1A1MEN1KMT2ATP53
SCHEMBL29835197 0.66 SCN9A (0.46) SCN9ASCN5ASCN1ASCN8A
SCHEMBL9230514 0.65 PKM (0.90) ALOX12PKMALDH1A1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL3162475 0.64 APLNR (0.50) MEN1KMT2A

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-2173743-A2 SODIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2010-04-14 EP disclosed
WO-2009012242-A2 SODIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 2009-01-22 WO disclosed