SCHEMBL364442

SCHEMBL364442

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KMT2A Q03164 7/20 0.53
MEN1 O00255 6/20 0.53
KDM4E B2RXH2 6/20 0.53
MAPT P10636 6/20 0.53
SAE1 Q9UBE0 2/20 0.53
UBA2 Q9UBT2 2/20 0.53
PABPC1 P11940 2/20 0.53
APAF1 O14727 1/20 0.53
G6PD P11413 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.48
POLB P06746 2/20 0.48
MAPK1 P28482 2/20 0.48
HPGD P15428 2/20 0.47
LMNA P02545 2/20 0.47
XBP1 P17861 1/20 0.47
MPI P34949 1/20 0.47
GAA P10253 2/20 0.46

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
SCHEMBL364882 0.94 KMT2A (0.52) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL366449 0.89 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL364989 0.89 KMT2A (0.51) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL366243 0.89 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL365606 0.89 KMT2A (0.50) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL367539 0.88 KMT2A (0.57) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL366163 0.88 KMT2A (0.55) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL365978 0.88 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL366274 0.88 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL364901 0.88 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1KDM4EMAPT

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