SCHEMBL9980385

SCHEMBL9980385

CNS(=O)(=O)c1ccc(N2CCCCC2COC)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CASP3 P42574 11/20 0.41
CASP7 P55210 9/20 0.41
LMNA P02545 1/20 0.41
SCN9A Q15858 1/20 0.41
TNNI3K Q59H18 1/20 0.40
FFAR2 O15552 1/20 0.40
CASP9 P55211 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL9980386 0.89 MAPT (0.45) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12067050 0.87 MAPT (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12065552 0.85 MAPT (0.44) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9980398 0.84 MAPT (0.60) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12065564 0.79 MEN1 (0.49) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL12067173 0.78 TNNI3K (0.56) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9980388 0.78 TNNI3K (0.56) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9980419 0.75 MEN1 (0.52) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9978263 0.74 MAPT (0.58) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL9980516 0.74 TNNI3K (0.56) MAPTMEN1KMT2AKDM4EALDH1A1

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