SCHEMBL1645810

SCHEMBL1645810

COc1ccccc1NC(=O)Cc1ccc(OC)c(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
MEN1 O00255 2/20 0.71
GAA P10253 2/20 0.68
POLB P06746 2/20 0.68
GFER P55789 1/20 0.68
RAB9A P51151 1/20 0.64
SMN1; SMN2 Q16637 2/20 0.63
EPHX2 P34913 1/20 0.63
LMNA P02545 3/20 0.62
HTT P42858 1/20 0.61
BCHE P06276 1/20 0.60
ACHE P22303 1/20 0.60
PARP14 Q460N5 1/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL8637152 0.88 GAA (0.64) KMT2AMEN1GAAPOLBGFER
SCHEMBL28607272 0.87 GAA (0.70) KMT2AGAAPOLBGFERRAB9A
SCHEMBL28618230 0.87 CHEK1 (0.63) KMT2AMEN1GAAPOLBGFER
SCHEMBL6169172 0.85 MEN1 (0.83) KMT2AMEN1GAAPOLBSMN1; SMN2
SCHEMBL28607667 0.84 POLB (0.64) KMT2AGAAPOLBGFERRAB9A
SCHEMBL27321163 0.84 GAA (0.60) KMT2AMEN1GAAPOLBGFER
SCHEMBL6169126 0.84 ALDH1A1 (0.80) KMT2AMEN1GAARAB9ASMN1; SMN2
SCHEMBL3653095 0.84 EPHX2 (0.77) KMT2AMEN1POLBSMN1; SMN2EPHX2
SCHEMBL7850198 0.83 POLB (0.73) KMT2AMEN1GAAPOLBPARP14
SCHEMBL8181946 0.83 MEN1 (0.75) KMT2AMEN1GAAPOLBSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4665239-B2 2011-04-06 JP claimed