SCHEMBL6411568

SCHEMBL6411568

O=C(NCc1ccccc1)OC1=NOC2(CCN(S(=O)(=O)c3cccs3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 6/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PKM P14618 8/20 0.44
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 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
SCHEMBL6410871 0.90 ALDH1A1 (0.53) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL6409878 0.85 KMT2A (0.52) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL2401811 0.85 MAPT (0.50) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL6411124 0.84 ALDH1A1 (0.56) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL6410174 0.83 ALDH1A1 (0.50) MEN1KMT2ARAB9AALDH1A1TSHR
SCHEMBL6410801 0.82 KMT2A (0.48) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL6415184 0.81 CYP3A4 (0.42) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL6413448 0.81 ALDH1A1 (0.42) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL6409948 0.81 KDM4E (0.47) MAPTALDH1A1TSHRPOLBMAPK1
SCHEMBL6409896 0.79 ALDH1A1 (0.56) MAPTMEN1KMT2ARAB9AALDH1A1

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