SCHEMBL7652382

SCHEMBL7652382

CC(NC1=CC(=O)c2cccnc2C1=O)c1c[nH]c2ccc(O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.49
NSD2 O96028 3/20 0.49
G6PD P11413 2/20 0.49
CDC25B P30305 1/20 0.49
DUSP3 P51452 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
NQO1 P15559 2/20 0.48
S100A4 P26447 2/20 0.46
HTR2C P28335 3/20 0.37
HTR2B P41595 2/20 0.37
HTR5A P47898 1/20 0.37
TGM2 P21980 1/20 0.36
PADI1 Q9ULC6 1/20 0.36
PADI3 Q9ULW8 1/20 0.36
PADI4 Q9UM07 1/20 0.36
PADI2 Q9Y2J8 1/20 0.36
SPR P35270 1/20 0.34
GAA P10253 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 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
SCHEMBL7652187 0.89 NQO1 (0.49) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7647844 0.89 NQO1 (0.48) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7679049 0.87 NQO1 (0.60) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7648036 0.87 NQO1 (0.47) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL15698464 0.78 NQO1 (0.76) TDP2NSD2G6PDNQO1S100A4
SCHEMBL7678312 0.74 TDP2 (0.60) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7647843 0.73 TDP2 (0.58) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7648029 0.73 TDP2 (0.58) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7648160 0.72 TDP2 (0.74) TDP2NSD2G6PDCDC25BDUSP3
SCHEMBL7654680 0.69 CDC25B (0.60) 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