SCHEMBL5527973

SCHEMBL5527973

Cc1ccc(S(=O)(=O)N2CCc3onc(C(=O)N4CCN(CCC5CCCCC5)CC4)c3C2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
TP53 P04637 3/20 0.42
LMNA P02545 3/20 0.40
HSP90AA1 P07900 4/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
THRB P10828 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 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
SCHEMBL2586164 0.90 MAPT (0.43) MAPTTP53LMNACNR1CNR2
SCHEMBL2581935 0.81 L3MBTL1 (0.42) MAPTTP53LMNACNR1CNR2
SCHEMBL2586727 0.81 ALDH1A1 (0.43) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL2585530 0.80 MEN1 (0.40) MAPTTP53LMNACNR1CNR2
SCHEMBL5527557 0.78 MAPT (0.46) MAPTTP53LMNAKMT2ATHRB
SCHEMBL5529398 0.73 HDAC3 (0.42) LMNACNR1KMT2AMEN1
Hydrochloric Acid SCHEMBL2576090 0.72 HDAC3 (0.42) LMNACNR1KMT2AMEN1
Hydrochloric Acid SCHEMBL2581062 0.72 SLC2A1 (0.40) MAPTTP53LMNAHSP90AA1RAB9A
SCHEMBL2589491 0.70 ALDH1A1 (0.41) MAPTTP53LMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL2588299 0.69 ALDH1A1 (0.40) MAPTTP53LMNAKMT2AMEN1

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-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