SCHEMBL6410174

SCHEMBL6410174

CC(NC(=O)OC1=NOC2(CCN(S(=O)(=O)c3cccs3)CC2)C1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
RAB9A P51151 1/20 0.45
PKM P14618 4/20 0.41
POLB P06746 2/20 0.39
TP53 P04637 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6410840 0.93 ALDH1A1 (0.43) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL2401703 0.85 L3MBTL1 (0.52) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL6410497 0.84 ALDH1A1 (0.38) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL6409878 0.84 KMT2A (0.52) ALDH1A1MEN1KMT2ARAB9APKM
SCHEMBL6411568 0.83 MAPT (0.50) ALDH1A1MEN1KMT2ARAB9APKM
SCHEMBL6409429 0.80 LMNA (0.41) ALDH1A1L3MBTL1KMT2ARAB9APKM
SCHEMBL2404657 0.79 ALDH1A1 (0.45) ALDH1A1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL6410956 0.79 LMNA (0.41) ALDH1A1L3MBTL1MEN1KMT2APKM
SCHEMBL6411124 0.76 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ARAB9APKM
SCHEMBL6410871 0.76 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ARAB9APKM

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