SCHEMBL2487478

SCHEMBL2487478

CN(C)C(c1cccs1)C1CCC(CNC(=O)Oc2c(N(C)S(=O)(=O)c3ccc(Cl)c(Cl)c3)sc3c2CCCC3)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
CNR2 P34972 1/20 0.33
PKM P14618 1/20 0.32
GAA P10253 1/20 0.31
LMNA P02545 3/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 2/20 0.30
MAPK1 P28482 2/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2490758 0.90 SPPL2A (0.36) ALDH1A1CNR2GAALMNAHTT
SCHEMBL2490936 0.89 ALDH1A1 (0.35) ALDH1A1CNR2GAALMNAMAPT
SCHEMBL2488269 0.87 PSEN1 (0.35) ALDH1A1CNR2PKMGAALMNA
SCHEMBL644323 0.83 KIF11 (0.39) ALDH1A1CNR2GAALMNAMAPT
SCHEMBL2487066 0.81 SPPL2A (0.36) ALDH1A1GAALMNATSHRHTT
SCHEMBL644809 0.77 KMT2A (0.40) ALDH1A1LMNAMAPTNPSR1L3MBTL1
SCHEMBL493145 0.73 ALDH1A1 (0.35) ALDH1A1PKMGAALMNAMAPT
SCHEMBL643082 0.72 MAPT (0.36) ALDH1A1CNR2GAALMNAMAPT
SCHEMBL644426 0.71 LMNA (0.35) ALDH1A1CNR2GAALMNAMAPT
SCHEMBL642926 0.71 OPRL1 (0.34) ALDH1A1CNR2GAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP claimed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP claimed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed