SCHEMBL364337

SCHEMBL364337

CN(C)CCOC(=O)c1c2ccccc2n2cc(C(=O)CCC#N)ccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 2/20 0.39
MAPT P10636 3/20 0.39
RAD52 P43351 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
PHLPP2 Q6ZVD8 1/20 0.37
ESR1 P03372 2/20 0.37
ESRRG P62508 2/20 0.37
KDM4E B2RXH2 2/20 0.36
GFER P55789 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
SCHEMBL365040 0.90 ALDH1A1 (0.48) ALDH1A1TDP1MAPTRAD52MEN1
SCHEMBL364775 0.88 ALDH1A1 (0.47) ALDH1A1TDP1MAPTRAD52MEN1
SCHEMBL364768 0.87 ALDH1A1 (0.46) ALDH1A1TDP1MAPTRAD52MEN1
SCHEMBL366312 0.86 ALDH1A1 (0.52) ALDH1A1TDP1MAPTRAD52MEN1
SCHEMBL364914 0.85 ALDH1A1 (0.47) ALDH1A1TDP1MAPTRAD52MEN1
SCHEMBL365804 0.85 ALDH1A1 (0.45) ALDH1A1TDP1MAPTRAD52MEN1
SCHEMBL364336 0.85 ALDH1A1 (0.41) ALDH1A1TDP1MAPTRAD52MEN1
SCHEMBL365411 0.84 ALDH1A1 (0.53) ALDH1A1TDP1MAPTRAD52MEN1
SCHEMBL365388 0.83 ALDH1A1 (0.49) ALDH1A1TDP1MAPTRAD52MEN1
SCHEMBL366410 0.82 ALDH1A1 (0.45) ALDH1A1TDP1MAPTRAD52MEN1

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-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed