SCHEMBL365546

SCHEMBL365546

CC(=O)c1ccc2c(C#N)c3ccccn3c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.64
ALDH1A1 P00352 8/20 0.64
MEN1 O00255 7/20 0.64
KDM4E B2RXH2 7/20 0.64
MAPT P10636 4/20 0.64
GAA P10253 4/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
LMNA P02545 2/20 0.64
HTT P42858 2/20 0.64
NCOA3 Q9Y6Q9 2/20 0.64
MAPK1 P28482 4/20 0.60
TDP1 Q9NUW8 2/20 0.60
PABPC1 P11940 1/20 0.60
CASP3 P42574 1/20 0.60
NCOA1 Q15788 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
POLB P06746 1/20 0.56
HPGD P15428 3/20 0.48
GLA P06280 1/20 0.48
APAF1 O14727 1/20 0.45

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
SCHEMBL364999 0.83 ALDH1A1 (0.60) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL367568 0.80 ALDH1A1 (0.44) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL364541 0.79 KDM4E (1.00) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL365547 0.78 ALDH1A1 (0.45) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL366875 0.78 EGFR (0.42) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL367329 0.77 BAZ2B (0.47) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL366735 0.77 HTT (0.48) KMT2AALDH1A1MEN1KDM4EMAPT
Potassium Ion SCHEMBL364866 0.76 MAPT (0.40) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL365090 0.76 ALDH1A1 (0.68) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL365639 0.75 KMT2A (0.66) KMT2AALDH1A1MEN1KDM4EMAPT

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