SCHEMBL5526549

SCHEMBL5526549

O=C(NCc1cccc(Cl)c1Cl)Oc1noc2c1CN(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.37
LIPE Q05469 1/20 0.37
NAMPT P43490 2/20 0.36
EGLN1 Q9GZT9 1/20 0.36
AKR1C3 P42330 1/20 0.36
PKM P14618 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36

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
SCHEMBL2579157 0.88 SMN1; SMN2 (0.42) EPHX2LIPEEGLN1PKMMEN1
SCHEMBL5531317 0.80 AKR1C3 (0.43) EPHX2LIPEEGLN1AKR1C3MEN1
SCHEMBL5532941 0.78 POLB (0.45) PKMMEN1KMT2ALMNAALDH1A1
SCHEMBL5527187 0.78 LMNA (0.43) EPHX2NAMPTPKMLMNASMN1; SMN2
SCHEMBL4260241 0.73 SMN1; SMN2 (0.46) EPHX2LIPEEGLN1AKR1C3MEN1
SCHEMBL15300377 0.73 CRHBP (0.39) EPHX2LIPEAKR1C3MEN1KMT2A
SCHEMBL15300326 0.72 NAMPT (0.41) NAMPTKMT2AMAPK1LMNASMN1; SMN2
SCHEMBL2587146 0.70 SMN1; SMN2 (0.43) EPHX2LIPEEGLN1AKR1C3MEN1
SCHEMBL5532106 0.70 TSHR (0.42) PKMMEN1KMT2AMAPK1LMNA
SCHEMBL15300391 0.69 RAB9A (0.49) AKR1C3MEN1KMT2ALMNASMN1; 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