SCHEMBL365401

SCHEMBL365401

CCOc1ccc(CCOc2cc(OCC#N)cc3c2c(C#N)c2ccccn23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 4/20 0.41
PABPC1 P11940 2/20 0.41
HTT P42858 2/20 0.41
NCOA3 Q9Y6Q9 2/20 0.41
CASP3 P42574 1/20 0.41
NCOA1 Q15788 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35

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
SCHEMBL366914 0.91 ALDH1A1 (0.41) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL365102 0.90 KDM4E (0.41) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL366564 0.86 ALDH1A1 (0.38) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL365785 0.85 ALDH1A1 (0.38) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL366815 0.84 MEN1 (0.45) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL366694 0.83 MKNK1 (0.41) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL365402 0.79 PSEN1 (0.38) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL366905 0.78 KDM4E (0.37) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL367346 0.77 ALDH1A1 (0.37) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL367248 0.77 ALDH1A1 (0.37) MEN1KMT2AALDH1A1L3MBTL1MAPK1

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