SCHEMBL5533616

SCHEMBL5533616

O=C(NCC1CC1)Oc1noc2c1CN(C(=S)NCc1ccc(Cl)cc1)CC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KMT2A Q03164 9/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 7/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.37
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37
MAPT P10636 4/20 0.36
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2582213 0.85 GAA (0.57) GAAKMT2AALDH1A1MEN1POLB
SCHEMBL4274929 0.78 GAA (0.55) GAAKMT2AALDH1A1MEN1POLB
SCHEMBL5528774 0.77 MAPT (0.47) ALDH1A1POLBMAPTSMN1; SMN2
SCHEMBL5530116 0.75 CHRM3 (0.31)
SCHEMBL5528749 0.74 TSHR (0.42) KMT2AALDH1A1MEN1POLBTDP1
SCHEMBL5531204 0.69 NPC1 (0.47) GAAKMT2AALDH1A1MEN1POLB
SCHEMBL5532143 0.69 MAPT (0.47) KMT2AALDH1A1MEN1MAPTSMN1; SMN2
SCHEMBL5527687 0.69 PKM (0.44) KMT2AALDH1A1MEN1POLBMAPT
SCHEMBL5533937 0.69 ATF4 (0.49) ALDH1A1POLBTDP1MAPTHTT
SCHEMBL4268590 0.68 MAPT (0.58) GAAKMT2AALDH1A1POLBTDP1

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