SCHEMBL366914

SCHEMBL366914

CCOc1cccc(CCOc2cc(OCC#N)cc3c2c(C#N)c2ccccn23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 6/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
NCOA3 Q9Y6Q9 2/20 0.38
PABPC1 P11940 1/20 0.38
CASP3 P42574 1/20 0.38
NCOA1 Q15788 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34

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
SCHEMBL365401 0.91 MEN1 (0.42) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL365102 0.89 KDM4E (0.41) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL367346 0.86 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL367248 0.85 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL367690 0.85 MEN1 (0.43) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL366694 0.83 MKNK1 (0.41) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL366915 0.79 PSEN1 (0.37) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL366564 0.77 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL365785 0.77 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1L3MBTL1MAPK1
SCHEMBL366905 0.76 KDM4E (0.37) ALDH1A1KMT2AMEN1L3MBTL1MAPK1

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 2 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