SCHEMBL365102

SCHEMBL365102

N#CCOc1cc(OCCc2ccccc2)c2c(C#N)c3ccccn3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
NCOA3 Q9Y6Q9 2/20 0.41
PABPC1 P11940 1/20 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
ALDH1A1 P00352 5/20 0.40
FNTA P49354 4/20 0.39
FNTB P49356 4/20 0.39
PGGT1B P53609 4/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 2/20 0.36

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 0.90 MEN1 (0.42) KDM4EMEN1KMT2AL3MBTL1MAPK1
SCHEMBL366694 0.90 MKNK1 (0.41) KDM4EMEN1KMT2AL3MBTL1MAPK1
SCHEMBL366914 0.89 ALDH1A1 (0.41) KDM4EMEN1KMT2AL3MBTL1MAPK1
SCHEMBL366072 0.85 FFAR1 (0.37) KDM4EMEN1KMT2AL3MBTL1MAPK1
SCHEMBL364640 0.83 ALDH1A1 (0.39) KDM4EMEN1KMT2AL3MBTL1MAPK1
SCHEMBL366079 0.82 KDM4E (0.42) KDM4EMEN1KMT2AL3MBTL1MAPK1
SCHEMBL365081 0.81 KDM4E (0.38) KDM4EMEN1KMT2AL3MBTL1MAPK1
SCHEMBL366905 0.80 KDM4E (0.37) KDM4EMEN1KMT2AL3MBTL1MAPK1
SCHEMBL366564 0.78 ALDH1A1 (0.38) KDM4EMEN1KMT2AL3MBTL1MAPK1
SCHEMBL364642 0.77 CYP11B1 (0.40) KDM4EALDH1A1FNTAFNTBPGGT1B

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