SCHEMBL5539191

SCHEMBL5539191

O=C(NCCc1ccccc1)Oc1noc2c1CN(C(=S)Nc1c(F)c(F)c(F)c(F)c1F)CC2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 6/20 0.42
RAB9A P51151 4/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 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
SCHEMBL2586908 0.85 ALDH1A1 (0.58) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
SCHEMBL5531204 0.85 NPC1 (0.47) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
SCHEMBL15300340 0.82 CHRM3 (0.33) NPC1MEN1KMT2ARAB9A
SCHEMBL15300254 0.78 HTR1A (0.46) SMN1; SMN2NPC1KMT2AALDH1A1RAB9A
SCHEMBL4270038 0.73 NPC1 (0.38) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
SCHEMBL2583226 0.71 ALDH1A1 (0.60) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
SCHEMBL5532143 0.69 MAPT (0.47) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
SCHEMBL5533616 0.69 GAA (0.43) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL2585095 0.68 ALDH1A1 (0.55) SMN1; SMN2NPC1MEN1KMT2AALDH1A1
SCHEMBL2582335 0.67 HSP90AA1 (0.45) SMN1; SMN2NPC1MEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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