SCHEMBL5532941

SCHEMBL5532941

COc1ccc(S(=O)(=O)N2CCc3onc(OC(=O)NCc4cccc(OC)c4OC)c3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ATM Q13315 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 5/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 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
SCHEMBL2588829 0.88 MAPT (0.48) POLBKMT2AMEN1ATMGAA
SCHEMBL5529341 0.79 PKM (0.47) PKMALDH1A1LMNA
SCHEMBL15300391 0.79 RAB9A (0.49) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL5526549 0.78 EPHX2 (0.37) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL5529260 0.77 KMT2A (0.49) POLBKMT2AMEN1GAAALDH1A1
SCHEMBL5532106 0.73 TSHR (0.42) KMT2AMEN1PKMALDH1A1LMNA
SCHEMBL4259737 0.71 PKM (0.48) POLBGAAPKMALDH1A1LMNA
SCHEMBL2588885 0.71 PKM (0.55) POLBATMGAAPKMALDH1A1
SCHEMBL5527187 0.71 LMNA (0.43) GAAPKMALDH1A1LMNA
SCHEMBL5531185 0.70 MEN1 (0.45) KMT2AMEN1GAAPKMALDH1A1

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