SCHEMBL5528774

SCHEMBL5528774

COc1ccc(CNC(=S)N2CCc3onc(OC(=O)NC4CCCC4)c3C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 3/20 0.44
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2585711 0.87 MAPT (0.58) MAPTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL4268590 0.79 MAPT (0.58) MAPTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL5533616 0.77 GAA (0.43) MAPTSMN1; SMN2ALDH1A1POLB
SCHEMBL5533937 0.76 ATF4 (0.49) MAPTRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5531204 0.69 NPC1 (0.47) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5527334 0.68 HPGD (0.46) MAPTTSHRNPC1ALDH1A1POLB
SCHEMBL2588184 0.67 MAPT (0.63) MAPTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL5536542 0.67 L3MBTL1 (0.47) MAPTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL4274929 0.67 GAA (0.55) MAPTTSHRRAB9ANPC1SMN1; SMN2
SCHEMBL2582213 0.66 GAA (0.57) MAPTTSHRRAB9ANPC1SMN1; SMN2

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-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
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 disclosed
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 disclosed