SCHEMBL6410069

SCHEMBL6410069

CN(Cc1cccnc1)C(=O)OC1=NOC2(CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.40
ATM Q13315 1/20 0.38
NAMPT P43490 4/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 1/20 0.36
PDE7B Q9NP56 1/20 0.36

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
SCHEMBL6411587 0.87 HSD17B10 (0.48) TDP1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL2403570 0.87 TDP1 (0.44) TDP1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL6411296 0.82 KDM4E (0.42) KMT2ALMNANAMPTGAAMEN1
SCHEMBL6410158 0.80 OPRM1 (0.43) TDP1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL6417412 0.78 ATM (0.51) TDP1SMN1; SMN2KMT2AMAPTATM
SCHEMBL6851497 0.72 OPRM1 (0.41) SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL6410171 0.72 L3MBTL1 (0.44) TDP1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL2403568 0.71 NAMPT (0.42) TDP1SMN1; SMN2KMT2ALMNAMAPT
SCHEMBL6409831 0.70 ATM (0.55) TDP1SMN1; SMN2KMT2AMAPTATM
SCHEMBL6411053 0.70 KMT2A (0.46) SMN1; SMN2KMT2AMAPTATMGAA

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