SCHEMBL6411272

SCHEMBL6411272

COc1ccc(Br)cc1S(=O)(=O)N1CCC2(CC1)CC(OC(=O)NC1CCCC1)=NO2

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 3/20 0.45
RAB9A P51151 2/20 0.45
ALPL P05186 1/20 0.45
EPHX2 P34913 2/20 0.42
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL2402386 0.87 KMT2A (0.54) GAAKMT2ANPC1MEN1ALDH1A1
SCHEMBL15309142 0.79 GAA (0.57) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL6410885 0.74 EPHX2 (0.58) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL6410171 0.71 L3MBTL1 (0.44) GAAKMT2AMEN1ALDH1A1LMNA
SCHEMBL6409387 0.70 SIGMAR1 (0.43)
SCHEMBL1456969 0.70 FKBP1A (0.43) GAAKMT2ANPC1MEN1ALDH1A1
SCHEMBL1456946 0.69 FKBP1A (0.44) GAAKMT2ANPC1MEN1ALDH1A1
SCHEMBL1457211 0.69 FKBP1A (0.44) GAAKMT2ANPC1MEN1ALDH1A1
SCHEMBL6412218 0.68 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1LMNARAB9A
SCHEMBL29575490 0.68 GAA (0.97) GAAKMT2AMEN1ALDH1A1LMNA

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-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP claimed
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP claimed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO claimed
EP-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed
EP-1401841-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2004-03-31 EP disclosed
WO-2003000699-A1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO[4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN Grünenthal GmbH (DE) 2003-01-03 WO disclosed