SCHEMBL9980392

SCHEMBL9980392

CNS(=O)(=O)c1ccc(N2CCCC(OC)C2)c(N)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 4/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
FFAR2 O15552 1/20 0.39
NPC1 O15118 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TNNI3K Q59H18 2/20 0.38
MAP4K4 O95819 1/20 0.38

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
SCHEMBL9980419 0.86 MEN1 (0.52) MEN1KMT2AMAPTLMNAGAA
SCHEMBL9980389 0.84 MAPT (0.69) MEN1KMT2AMAPTLMNAGAA
SCHEMBL12065802 0.81 MEN1 (0.45) MEN1KMT2AMAPTLMNAGAA
SCHEMBL9980390 0.80 RAB9A (0.65) MEN1KMT2AMAPTLMNAGAA
SCHEMBL9980429 0.77 GAA (0.54) MEN1KMT2AMAPTLMNAGAA
SCHEMBL12067920 0.77 MEN1 (0.49) MEN1KMT2AMAPTLMNAGAA
SCHEMBL12065564 0.76 MEN1 (0.49) MEN1KMT2AMAPTLMNAGAA
SCHEMBL12067173 0.75 TNNI3K (0.56) MEN1KMT2AMAPTLMNAGAA
SCHEMBL9980388 0.75 TNNI3K (0.56) MEN1KMT2AMAPTLMNAGAA
SCHEMBL23851443 0.74 KDM4E (0.51) MEN1KMT2ALMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed
WO-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed