SCHEMBL366905

SCHEMBL366905

Cc1cnc(CCCOc2cc(OCC#N)cc3c2c(C#N)c2ccccn23)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 3/20 0.37
MAPK1 P28482 2/20 0.37
NCOA3 Q9Y6Q9 2/20 0.37
PABPC1 P11940 1/20 0.37
CASP3 P42574 1/20 0.37
NCOA1 Q15788 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 5/20 0.37
POLB P06746 2/20 0.37
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
PSEN1 P49768 1/20 0.32

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
SCHEMBL366830 0.86 ALDH1A1 (0.35) KDM4EMEN1KMT2AL3MBTL1LMNA
SCHEMBL366806 0.86 ALDH1A1 (0.35) KDM4EMEN1KMT2AL3MBTL1LMNA
SCHEMBL365102 0.80 KDM4E (0.41) KDM4EMEN1KMT2AL3MBTL1LMNA
SCHEMBL366906 0.80 HTT (0.37) KDM4EMEN1KMT2AL3MBTL1LMNA
SCHEMBL366694 0.79 MKNK1 (0.41) KDM4EMEN1KMT2AL3MBTL1LMNA
SCHEMBL365401 0.78 MEN1 (0.42) KDM4EMEN1KMT2AL3MBTL1LMNA
SCHEMBL366914 0.76 ALDH1A1 (0.41) KDM4EMEN1KMT2AL3MBTL1LMNA
SCHEMBL365081 0.75 KDM4E (0.38) KDM4EMEN1KMT2AL3MBTL1LMNA
SCHEMBL366831 0.72 MCL1 (0.35) MEN1KMT2AALDH1A1PSEN1PSEN2
SCHEMBL366807 0.71 MCL1 (0.33) KMT2AL3MBTL1LMNAMAPTHTT

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