SCHEMBL366816

SCHEMBL366816

CCOc1ccc(CCOc2cc(OC(=O)N(C)C)cn3c2c(C#N)c2ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.37
MEN1 O00255 6/20 0.37
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.37
CNR2 P34972 1/20 0.36
PABPC1 P11940 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
HTR2A P28223 1/20 0.34
HTR7 P34969 1/20 0.34
OPRM1 P35372 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTT P42858 1/20 0.34
PLA2G4A P47712 1/20 0.34

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
SCHEMBL366080 0.92 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL367691 0.92 ACHE (0.40) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL365986 0.92 KMT2A (0.38) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL365114 0.90 ALDH1A1 (0.34) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL366851 0.86 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL366374 0.86 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1POLBMAPT
SCHEMBL365402 0.85 PSEN1 (0.38) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL366618 0.85 MEN1 (0.37) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL366531 0.84 MEN1 (0.36) KMT2AMEN1ALDH1A1POLBMAPK1
SCHEMBL366815 0.80 MEN1 (0.45) KMT2AMEN1ALDH1A1POLBMAPK1

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