SCHEMBL364877

SCHEMBL364877

CCOC(=O)COc1ccc2c(C(=O)OCC)c3ccccn3c2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.77
KMT2A Q03164 7/20 0.77
ALDH1A1 P00352 7/20 0.77
MEN1 O00255 6/20 0.77
MAPT P10636 4/20 0.77
SAE1 Q9UBE0 2/20 0.77
UBA2 Q9UBT2 2/20 0.77
APAF1 O14727 1/20 0.77
G6PD P11413 1/20 0.77
PABPC1 P11940 1/20 0.77
CACNA1B Q00975 1/20 0.77
APBA1 Q02410 1/20 0.77
POLB P06746 3/20 0.70
MAPK1 P28482 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
HPGD P15428 3/20 0.69
LMNA P02545 1/20 0.69
XBP1 P17861 1/20 0.69
MPI P34949 1/20 0.69
GAA P10253 5/20 0.67

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
SCHEMBL366986 0.91 ALDH1A1 (0.77) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL365759 0.91 ALDH1A1 (0.77) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL364875 0.89 ALDH1A1 (0.74) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL367088 0.89 ALDH1A1 (0.74) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL364968 0.86 KDM4E (0.70) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL365438 0.86 ALDH1A1 (0.70) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL366970 0.86 KMT2A (0.70) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL365358 0.85 ALDH1A1 (0.68) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL10280686 0.85 ALDH1A1 (0.71) KDM4EKMT2AALDH1A1MEN1MAPT
SCHEMBL367141 0.84 ALDH1A1 (0.67) KDM4EKMT2AALDH1A1MEN1MAPT

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