SCHEMBL5528830

SCHEMBL5528830

CN(C)S(=O)(=O)N1CCc2onc(OC(=O)O)c2C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.39
GRM5 P41594 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 2/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
F12 P00748 1/20 0.31

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
SCHEMBL4261225 0.81 KMT2A (0.35) GRM5SMN1; SMN2GAAALDH1A1L3MBTL1
SCHEMBL5531185 0.79 MEN1 (0.45) GAAALDH1A1L3MBTL1
SCHEMBL5529341 0.77 PKM (0.47) SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL5533864 0.76 MEN1 (0.44) GAAALDH1A1L3MBTL1
SCHEMBL15062759 0.75 CHRM3 (0.38) CHRM3ALDH1A1
SCHEMBL5243723 0.74 TSHR (0.47) SMN1; SMN2ALDH1A1
SCHEMBL5539142 0.74 AKR1C3 (0.46) GAAALDH1A1
SCHEMBL2586916 0.73 LMNA (0.57) SMN1; SMN2ALDH1A1
SCHEMBL5531071 0.73 EPHX2 (0.39) CHRM3L3MBTL1
SCHEMBL5531260 0.73 ALDH1A1 (0.45) SMN1; SMN2GAAALDH1A1L3MBTL1

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-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP claimed
EP-1869053-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2007-12-26 EP claimed
WO-2006105945-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS Grünenthal GmbH (DE) 2006-10-12 WO claimed
EP-1869053-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-ISOXAZOLO[4,5-C]PYRIDINE COMPOUNDS AND THEIR USE IN THE PRODUCTION OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2013-10-09 EP disclosed