SCHEMBL367737

SCHEMBL367737

N#CCOc1ccc2c(C#N)c3ccccc3n2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.45
HTT P42858 6/20 0.45
MAPT P10636 6/20 0.45
LMNA P02545 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
NCOA3 Q9Y6Q9 2/20 0.45
PABPC1 P11940 1/20 0.45
CASP3 P42574 1/20 0.45
NCOA1 Q15788 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
ALDH1A1 P00352 6/20 0.44
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42

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
SCHEMBL366922 0.81 L3MBTL1 (0.62) L3MBTL1HTTMAPTLMNAMEN1
SCHEMBL364900 0.79 PSEN1 (0.39) HTTMAPTKDM4EMAPK1ALDH1A1
SCHEMBL367736 0.78 KDM4E (0.70) L3MBTL1HTTMAPTLMNAMEN1
SCHEMBL366633 0.78 PSEN1 (0.38) L3MBTL1HTTMAPTLMNAMEN1
SCHEMBL366032 0.78 PSEN1 (0.38) L3MBTL1HTTMAPTLMNAMEN1
SCHEMBL365540 0.78 PSEN1 (0.41) L3MBTL1HTTMAPTLMNAMEN1
SCHEMBL364902 0.77 ALDH1A1 (0.40) L3MBTL1MAPTLMNAMEN1KMT2A
SCHEMBL364973 0.76 KMT2A (0.42) L3MBTL1MAPTLMNAMEN1KMT2A
SCHEMBL365640 0.76 KMT2A (0.43) L3MBTL1HTTMAPTLMNAMEN1
SCHEMBL365359 0.74 ALDH1A1 (0.47) L3MBTL1HTTMAPTLMNAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed