SCHEMBL365044

SCHEMBL365044

CN(CCOC(=O)c1c2ccc(OCC#N)cc2n2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 6/20 0.47
MAPT P10636 6/20 0.47
KDM4E B2RXH2 5/20 0.47
SAE1 Q9UBE0 2/20 0.47
UBA2 Q9UBT2 2/20 0.47
PABPC1 P11940 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
L3MBTL1 Q9Y468 3/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
XBP1 P17861 1/20 0.42
MPI P34949 1/20 0.42
GAA P10253 2/20 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
SCHEMBL364442 0.88 ALDH1A1 (0.53) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL365045 0.86 PDK2 (0.37) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL366447 0.86 ALDH1A1 (0.52) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL364882 0.84 KMT2A (0.52) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL366449 0.83 ALDH1A1 (0.49) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL364989 0.83 KMT2A (0.51) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL366243 0.83 ALDH1A1 (0.58) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL365606 0.82 KMT2A (0.50) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL364993 0.82 ALDH1A1 (0.55) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL366163 0.82 KMT2A (0.55) KMT2AALDH1A1MEN1MAPTKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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