SCHEMBL6411079

SCHEMBL6411079

O=C(O)OC1=NOC2(CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 6/20 0.44
TSHR P16473 2/20 0.43
MAPK1 P28482 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP8 P22894 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL6410956 0.84 LMNA (0.41) LMNATDP1MAPTL3MBTL1TSHR
SCHEMBL6410614 0.84 LMNA (0.46) LMNATDP1MAPTL3MBTL1TSHR
SCHEMBL6409878 0.83 KMT2A (0.52) LMNAMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL6414411 0.83 LMNA (0.42) LMNATDP1MAPTL3MBTL1TSHR
SCHEMBL6410302 0.83 SMN1; SMN2 (0.58) LMNAMAPTL3MBTL1TSHRMAPK1
SCHEMBL6412249 0.82 JAK2 (0.43) L3MBTL1MAPK1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL6417720 0.81 ALDH1A1 (0.58) L3MBTL1TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL6417412 0.80 ATM (0.51) TDP1MAPTL3MBTL1TSHRSMN1; SMN2
SCHEMBL6410504 0.79 MEN1 (0.49) LMNAMAPTL3MBTL1TSHRMAPK1
SCHEMBL6411681 0.79 ALDH1A1 (0.43) LMNATDP1MAPTL3MBTL1MAPK1

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