SCHEMBL367690

SCHEMBL367690

CCOc1cccc(CCOc2cc(OC(=O)N(C)C)cc3c2c(C#N)c2ccccn23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 3/20 0.40
ACHE P22303 7/20 0.40
CYP2D6 P10635 6/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PABPC1 P11940 1/20 0.35
CASP3 P42574 1/20 0.35
HTT P42858 1/20 0.35
NCOA1 Q15788 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
KCNH2 Q12809 2/20 0.35
CASP1 P29466 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
SCHEMBL366617 0.92 MEN1 (0.45) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL366815 0.92 MEN1 (0.45) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL366079 0.91 KDM4E (0.42) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL365113 0.87 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL365168 0.87 ACHE (0.41) ACHECYP2D6KCNH2
SCHEMBL365924 0.86 ACHE (0.42) MEN1KMT2AALDH1A1KDM4EACHE
SCHEMBL365985 0.85 MEN1 (0.46) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL366914 0.85 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL367691 0.81 ACHE (0.40) MEN1KMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL366530 0.80 CYP11B1 (0.35) MEN1KMT2AALDH1A1MAPK1L3MBTL1

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