SCHEMBL365985

SCHEMBL365985

CCOc1ccc(COc2cc(OC(=O)N(C)C)cc3c2c(C#N)c2ccccn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 4/20 0.42
LMNA P02545 7/20 0.39
MAPT P10636 6/20 0.39
HTT P42858 2/20 0.39
NCOA3 Q9Y6Q9 2/20 0.39
PABPC1 P11940 1/20 0.39
CASP3 P42574 1/20 0.39
NCOA1 Q15788 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CNR2 P34972 1/20 0.37
TP53 P04637 3/20 0.36
THRB P10828 2/20 0.36
ALOX5 P09917 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
SCHEMBL366815 0.92 MEN1 (0.45) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL366617 0.92 MEN1 (0.45) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL365768 0.86 ALOX5 (0.38) MEN1KMT2AALDH1A1L3MBTL1POLB
SCHEMBL365836 0.85 MAPT (0.38) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL367690 0.85 MEN1 (0.43) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL365113 0.84 ALDH1A1 (0.41) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL366079 0.83 KDM4E (0.42) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL365986 0.79 KMT2A (0.38) MEN1KMT2AALDH1A1L3MBTL1MAPK1
SCHEMBL366850 0.78 MAPT (0.37) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL365592 0.78 MRGPRX4 (0.39) MEN1KMT2AALDH1A1KDM4ELMNA

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