SCHEMBL365801

SCHEMBL365801

CN(C)CCOC(=O)c1c2ccccc2n2cc(Br)ccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAD52 P43351 3/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
POLR1A O95602 1/20 0.37
BCHE P06276 1/20 0.37
EGFR P00533 1/20 0.36
SRC P12931 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
SCHEMBL366312 0.87 ALDH1A1 (0.52) ALDH1A1TDP1MEN1KMT2ARAD52
SCHEMBL364887 0.87 ALDH1A1 (0.52) ALDH1A1TDP1MEN1KMT2ARAD52
SCHEMBL366408 0.87 ALDH1A1 (0.52) ALDH1A1TDP1MEN1KMT2ARAD52
SCHEMBL365839 0.86 ALDH1A1 (0.54) ALDH1A1TDP1MEN1KMT2ARAD52
SCHEMBL365411 0.85 ALDH1A1 (0.53) ALDH1A1TDP1MEN1KMT2ARAD52
SCHEMBL366836 0.85 ALDH1A1 (0.50) ALDH1A1TDP1MEN1KMT2APOLB
SCHEMBL365858 0.84 ALDH1A1 (0.47) ALDH1A1TDP1MEN1KMT2ARAD52
SCHEMBL365388 0.84 ALDH1A1 (0.49) ALDH1A1TDP1MEN1KMT2ARAD52
SCHEMBL364996 0.84 ALDH1A1 (0.49) ALDH1A1TDP1MEN1KMT2ARAD52
SCHEMBL367114 0.84 ALDH1A1 (0.49) ALDH1A1TDP1MEN1KMT2ARAD52

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