SCHEMBL366079

SCHEMBL366079

CN(C)C(=O)Oc1cc(OCCc2ccccc2)c2c(C#N)c3ccccn3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 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
CYP11B1 P15538 2/20 0.37

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) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL367690 0.91 MEN1 (0.43) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL366530 0.89 CYP11B1 (0.35) ALDH1A1MEN1KMT2AL3MBTL1MAPK1
SCHEMBL365113 0.88 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL365188 0.86 CYP11B1 (0.39) ALDH1A1KMT2ALMNACYP11B1CYP11B2
SCHEMBL366611 0.84 ACHE (0.38) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL366617 0.84 MEN1 (0.45) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL365985 0.83 MEN1 (0.46) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL365102 0.82 KDM4E (0.41) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL366850 0.80 MAPT (0.37) KDM4EALDH1A1MEN1KMT2APOLB

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