SCHEMBL6411879

SCHEMBL6411879

Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(OC(=O)NC2CC2c2ccccc2)=NO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.43
CYP2C19 P33261 1/20 0.43
TGM2 P21980 1/20 0.42
EPHX1 P07099 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM1A O60341 2/20 0.41
HDAC6 Q9UBN7 2/20 0.40
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL6416071 0.92 MEN1 (0.44) EPHX2TGM2EPHX1ALDH1A1MEN1
SCHEMBL2580546 0.85 TGM2 (0.47) EPHX2CYP2C19TGM2EPHX1ALDH1A1
SCHEMBL6410443 0.81 MEN1 (0.41) CYP2C19ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6409449 0.81 CYP2C19 (0.49) CYP2C19ALDH1A1MEN1KMT2AMAPK1
SCHEMBL6409938 0.79 MAPT (0.56) EPHX2CYP2C19TGM2ALDH1A1MEN1
SCHEMBL2402473 0.78 MEN1 (0.47) EPHX2TGM2EPHX1ALDH1A1MEN1
SCHEMBL6409429 0.77 LMNA (0.41) CYP2C19ALDH1A1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL6411481 0.76 POLB (0.44) CYP2C19ALDH1A1MEN1KMT2A
SCHEMBL6417720 0.76 ALDH1A1 (0.58) CYP2C19ALDH1A1MEN1KMT2AMAPK1
SCHEMBL6409613 0.74 KCNA5 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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-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-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