SCHEMBL365639

SCHEMBL365639

CN(C)C(=O)Oc1ccc2c(C#N)c3ccccn3c2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.66
MEN1 O00255 8/20 0.66
KDM4E B2RXH2 5/20 0.66
LMNA P02545 4/20 0.66
L3MBTL1 Q9Y468 3/20 0.66
MAPT P10636 3/20 0.66
MAPK1 P28482 2/20 0.66
HTT P42858 2/20 0.66
NCOA3 Q9Y6Q9 2/20 0.66
PABPC1 P11940 2/20 0.66
CASP3 P42574 1/20 0.66
NCOA1 Q15788 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
ALDH1A1 P00352 6/20 0.62
POLB P06746 1/20 0.61
GAA P10253 2/20 0.56
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 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
SCHEMBL365640 0.81 KMT2A (0.43) KMT2AMEN1KDM4ELMNAL3MBTL1
SCHEMBL366827 0.81 KMT2A (0.45) KMT2AMEN1KDM4ELMNAL3MBTL1
SCHEMBL367282 0.80 KMT2A (0.47) KMT2AMEN1KDM4ELMNAL3MBTL1
SCHEMBL366921 0.80 KDM4E (1.00) KMT2AMEN1KDM4ELMNAL3MBTL1
SCHEMBL365133 0.77 KMT2A (0.57) KMT2AMEN1KDM4ELMNAL3MBTL1
SCHEMBL364801 0.76 ALDH1A1 (0.64) KMT2AMEN1KDM4ELMNAL3MBTL1
SCHEMBL365546 0.75 KMT2A (0.64) KMT2AMEN1KDM4ELMNAL3MBTL1
SCHEMBL367736 0.74 KDM4E (0.70) KMT2AMEN1KDM4ELMNAL3MBTL1
SCHEMBL365985 0.74 MEN1 (0.46) KMT2AMEN1KDM4ELMNAL3MBTL1
SCHEMBL366079 0.74 KDM4E (0.42) KMT2AMEN1KDM4ELMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed