SCHEMBL6409613

SCHEMBL6409613

COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(OC(=O)NC2CCCC2OCc2ccccc2)=NO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PKM P14618 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40
MMP7 P09237 2/20 0.40
MMP9 P14780 2/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD11B1 P28845 1/20 0.40
CHRM5 P08912 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 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
SCHEMBL6410443 0.93 MEN1 (0.41) KCNA5MEN1KMT2APKMSMN1; SMN2
SCHEMBL6411302 0.91 P2RX7 (0.40) KCNA5MEN1KMT2APKMSMN1; SMN2
SCHEMBL2403325 0.88 KCNA5 (0.51) KCNA5MEN1KMT2APKMSMN1; SMN2
SCHEMBL6411720 0.86 P2RX7 (0.40) KCNA5MEN1KMT2AALDH1A1
SCHEMBL6411506 0.86 P2RX7 (0.41) JAK2JAK1ALDH1A1MAPT
SCHEMBL6409402 0.85 KMT2A (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6413448 0.85 ALDH1A1 (0.42) MEN1KMT2APKMSMN1; SMN2ALDH1A1
SCHEMBL6410884 0.84 LMNA (0.44) SMN1; SMN2MMP8LMNAMMP13
SCHEMBL6416071 0.82 MEN1 (0.44) MEN1KMT2APKMJAK2JAK1
SCHEMBL2401891 0.81 MEN1 (0.42) KCNA5MEN1KMT2AALDH1A1

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