SCHEMBL366527

SCHEMBL366527

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.45
ALDH1A1 P00352 8/20 0.45
MEN1 O00255 7/20 0.45
KDM4E B2RXH2 7/20 0.45
MAPT P10636 5/20 0.45
SAE1 Q9UBE0 2/20 0.45
UBA2 Q9UBT2 2/20 0.45
PABPC1 P11940 2/20 0.45
APAF1 O14727 1/20 0.45
G6PD P11413 1/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
POLR1A O95602 1/20 0.41
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.40
XBP1 P17861 1/20 0.40
MPI P34949 1/20 0.40

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
SCHEMBL366311 0.85 TDP1 (0.49) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL366407 0.85 KMT2A (0.48) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL364886 0.85 ALDH1A1 (0.50) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL364442 0.84 ALDH1A1 (0.53) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL365800 0.84 ALDH1A1 (0.47) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL365838 0.84 ALDH1A1 (0.49) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL367113 0.83 ALDH1A1 (0.46) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL366835 0.83 ALDH1A1 (0.53) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL365410 0.83 ALDH1A1 (0.46) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL366528 0.83 ALDH1A1 (0.48) KMT2AALDH1A1MEN1MAPTL3MBTL1

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