SCHEMBL7678312

SCHEMBL7678312

CC(NC1=CC(=O)c2cccnc2C1=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 5/20 0.60
NSD2 O96028 4/20 0.60
G6PD P11413 2/20 0.60
CDC25B P30305 2/20 0.60
DUSP3 P51452 1/20 0.60
HKDC1 Q2TB90 1/20 0.60
S100A4 P26447 4/20 0.54
TGM2 P21980 1/20 0.43
PADI1 Q9ULC6 1/20 0.43
PADI3 Q9ULW8 1/20 0.43
PADI4 Q9UM07 1/20 0.43
PADI2 Q9Y2J8 1/20 0.43
NQO1 P15559 3/20 0.42
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GUCY1B2 O75343 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7648160 0.84 TDP2 (0.74) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7648029 0.78 TDP2 (0.58) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7654680 0.76 CDC25B (0.60) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7647843 0.75 TDP2 (0.58) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7652382 0.74 TDP2 (0.49) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7648238 0.72 S100A4 (0.68) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7679049 0.71 NQO1 (0.60) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL2599397 0.71 S100A4 (1.00) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7652187 0.70 NQO1 (0.49) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7647844 0.70 NQO1 (0.48) TDP2NSD2G6PDCDC25BDUSP3

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-2012064396-A9 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2012-07-05 WO disclosed
WO-2012064396-A2 NOVEL EZRIN INHIBITORS AND METHODS OF MAKING AND USING GEORGETOWN UNIVERSITY (US) 2012-05-18 WO disclosed