SCHEMBL6410801

SCHEMBL6410801

O=C(NCc1ccccc1)OC1=NOC2(CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 6/20 0.46
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
PKM P14618 1/20 0.43
NAMPT P43490 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 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
SCHEMBL6412732 0.88 KMT2A (0.43) KMT2AMEN1GAAPKM
SCHEMBL2403699 0.86 MAPK1 (0.52) KMT2AMEN1MAPK1ALDH1A1GAA
SCHEMBL6409851 0.82 SMN1; SMN2 (0.42) ALDH1A1GAALMNAPKMNAMPT
SCHEMBL6411568 0.82 MAPT (0.50) KMT2AMEN1MAPK1ALDH1A1GAA
SCHEMBL6410978 0.81 FKBP1A (0.48) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL6409896 0.79 ALDH1A1 (0.56) KMT2AMEN1MAPK1ALDH1A1GAA
SCHEMBL6409695 0.78 HTR1A (0.49)
SCHEMBL1457432 0.78 MEN1 (0.45) KMT2AMEN1ALDH1A1GAALMNA
SCHEMBL6409957 0.78 KMT2A (0.45) KMT2AMEN1MAPK1ALDH1A1GAA
SCHEMBL6410103 0.78 CYP2D6 (0.42) KMT2AMEN1MAPK1ALDH1A1GAA

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