SCHEMBL365785

SCHEMBL365785

CCOc1ccc(CCOc2cc(OCC#N)cc3c2c(C(N)=O)c2ccccn23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
KDM4E B2RXH2 4/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 7/20 0.37
SAE1 Q9UBE0 2/20 0.37
UBA2 Q9UBT2 2/20 0.37
APAF1 O14727 1/20 0.37
G6PD P11413 1/20 0.37
PABPC1 P11940 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
TP53 P04637 5/20 0.37
LMNA P02545 4/20 0.37
RXFP1 Q9HBX9 2/20 0.37
THRB P10828 2/20 0.36
FFAR1 O14842 2/20 0.35

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
SCHEMBL366564 0.92 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL367248 0.92 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL364640 0.91 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL365401 0.85 MEN1 (0.42) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL366373 0.85 MAPT (0.37) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL367346 0.84 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL366015 0.84 CYP11B1 (0.37) ALDH1A1KMT2AMEN1KDM4EOPRM1
SCHEMBL366072 0.84 FFAR1 (0.37) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL367224 0.83 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL365786 0.80 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1POLBL3MBTL1

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