SCHEMBL367670

SCHEMBL367670

N#CCOc1cc(O)c2c(C(=O)O)c3ccccn3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
KDM4E B2RXH2 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 5/20 0.37
PABPC1 P11940 2/20 0.37
PTGS2 P35354 1/20 0.37
APAF1 O14727 1/20 0.37
G6PD P11413 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
NCOA3 Q9Y6Q9 2/20 0.36
GAA P10253 1/20 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
SCHEMBL366566 0.90 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL365105 0.86 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL366072 0.82 FFAR1 (0.37) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL364899 0.81 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL367193 0.80 GPR132 (0.38) ALDH1A1KDM4E
SCHEMBL366115 0.79 CA1 (0.41) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL366564 0.77 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL364642 0.77 CYP11B1 (0.40) ALDH1A1KDM4E
SCHEMBL367224 0.76 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1KDM4EL3MBTL1
SCHEMBL367346 0.76 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1KDM4EL3MBTL1

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