SCHEMBL366389

SCHEMBL366389

CN(C)CCOC(=O)c1c2ccc(C(=O)NCCO)cc2n2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SAE1 Q9UBE0 2/20 0.44
UBA2 Q9UBT2 2/20 0.44
APAF1 O14727 1/20 0.44
G6PD P11413 1/20 0.44
PABPC1 P11940 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
HPGD P15428 3/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
LMNA P02545 1/20 0.39
XBP1 P17861 1/20 0.39
MPI P34949 1/20 0.39

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
SCHEMBL366295 0.94 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL364233 0.93 KDM4E (0.44) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL365857 0.88 KMT2A (0.46) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL366311 0.87 TDP1 (0.49) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL364812 0.87 MAPT (0.49) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL365749 0.86 KDM4E (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL361356 0.85 EGFR (0.47) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL365410 0.85 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL366390 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL366301 0.84 TDP1 (0.46) ALDH1A1KDM4EMAPTKMT2AMEN1

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