SCHEMBL365428

SCHEMBL365428

COC(=O)c1c2ccc(OC(CC(=O)O)CN(C)C)cc2n2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.47
MAPT P10636 12/20 0.47
MEN1 O00255 11/20 0.47
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 8/20 0.47
PABPC1 P11940 3/20 0.47
SAE1 Q9UBE0 2/20 0.47
UBA2 Q9UBT2 2/20 0.47
APAF1 O14727 1/20 0.47
G6PD P11413 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
MPI P34949 1/20 0.42
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL358632 0.92 KMT2A (0.47) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL366047 0.91 KMT2A (0.48) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL365514 0.87 KMT2A (0.46) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL365429 0.85 TSHR (0.37) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL364859 0.81 KMT2A (0.52) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL364923 0.79 ALDH1A1 (0.57) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL366304 0.79 MAPT (0.44) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL365339 0.79 KMT2A (0.53) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL366160 0.78 ALDH1A1 (0.46) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL365564 0.78 KMT2A (0.56) KMT2AMAPTMEN1ALDH1A1KDM4E

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