SCHEMBL3994591

SCHEMBL3994591

CNS(=O)(=O)c1c(C)cc(OC)c(CCO)c1C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 2/20 0.40
F2 P00734 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
AVPR1B P47901 2/20 0.35
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AVPR1A P37288 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 2/20 0.32
NLRP3 Q96P20 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
SCHEMBL2372022 0.79 NMT1 (0.57) NMT1F2L3MBTL1AVPR1BNR3C1
SCHEMBL4080617 0.71 F2 (0.56) NMT1F2AVPR1BAVPR1AALDH1A1
SCHEMBL3818528 0.69 F2 (0.41) NMT1F2AVPR1BNR3C1PGR
SCHEMBL1935802 0.67 ALDH1A1 (0.51) L3MBTL1ALDH1A1PKMKMT2A
SCHEMBL31187890 0.66 ACHE (0.48) ALDH1A1
SCHEMBL2372018 0.65 NMT1 (0.56) NMT1F2AVPR1BNR3C1PGR
SCHEMBL13663687 0.65 NMT1 (0.49) NMT1F2AVPR1BNR3C1PGR
SCHEMBL28928134 0.64 CYP1A2 (0.39) ALDH1A1
SCHEMBL6390711 0.64 AVPR1B (0.53) NMT1F2AVPR1BAVPR1A
SCHEMBL15157449 0.64 F2 (0.56) NMT1F2NR3C1PGRAVPR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606288-B1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN FOURNIER LAB SA (FR) 2009-06-03 EP disclosed
WO-2007140383-A2 SPIROCYCLIC SULFONAMIDES AND RELATED COMPOUNDS NEUROGEN CORPORATION (US) 2007-12-06 WO disclosed
EP-1606288-A1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN LABORATOIRES FOURNIER S.A. (FR) 2005-12-21 EP disclosed
WO-2004087700-A1 BENZENESULPHONAMIDE DERIVATIVES, METHOD FOR PRODUCTION AND USE THEREOF FOR TREATMENT OF PAIN LABORATOIRES FOURNIER S.A. (FR) 2004-10-14 WO disclosed