SCHEMBL10061986

SCHEMBL10061986

O=C(Nc1ccc(O)c(O)c1)Nc1c2c(nc3ccccc13)CCCC2

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.62
ACHE P22303 4/20 0.61
BCHE P06276 3/20 0.61
HTT P42858 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.55
HDAC6 Q9UBN7 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52

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
SCHEMBL13253516 0.83 MEN1 (0.64) HTTGAAMAPTKMT2AMEN1
SCHEMBL10061810 0.81 POLB (0.69) APPACHEBCHEHTTGAA
SCHEMBL9208663 0.79 HTT (0.74) APPACHEBCHEHTTGAA
SCHEMBL10062368 0.79 MAPT (0.74) APPACHEBCHEGAAMAPT
SCHEMBL8473136 0.78 HTT (0.69) ACHEBCHEHTTGAAMAPT
SCHEMBL8472225 0.77 HTT (0.71) ACHEBCHEHTTGAAMAPT
SCHEMBL8476129 0.76 HTT (0.73) ACHEBCHEHTTGAAMAPT
SCHEMBL9821200 0.75 BCHE (0.63) APPACHEBCHEHTTGAA
SCHEMBL8474173 0.75 BCHE (0.66) APPACHEBCHEHTTGAA
SCHEMBL10061811 0.75 MEN1 (0.69) APPACHEBCHEHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853920-B1 FLUORESCENCE POLARIZATION ASSAYS FOR ACETYLTRANSFERASE/DEACETYLASE ACTIVITY SIRTRIS PHARMACEUTICALS INC (US) 2012-02-01 EP disclosed