SCHEMBL4031609

SCHEMBL4031609

CC(=O)Nc1ccc(Nc2ncc([N+](=O)[O-])c(Nc3cc(C(=O)O)ccc3C(=O)O)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.70
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
PTK2B Q14289 2/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
MCL1 Q07820 1/20 0.70
PLK1 P53350 2/20 0.68
AURKA O14965 8/20 0.62
GSK3B P49841 6/20 0.62
GSK3A P49840 5/20 0.62
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PTK2 Q05397 4/20 0.46
MAPK1 P28482 2/20 0.46
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46

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
Hydrochloric Acid SCHEMBL3814985 0.99 MAPT (0.69) MAPTMEN1KMT2APTK2BCYP1A2
SCHEMBL4025594 0.87 PLK1 (0.84) MAPTMEN1KMT2APTK2BCYP1A2
SCHEMBL4023425 0.87 MAPT (0.68) MAPTMEN1KMT2APTK2BCYP1A2
Hydrochloric Acid SCHEMBL3810870 0.87 PLK1 (0.82) MAPTMEN1KMT2APTK2BCYP1A2
Hydrochloric Acid SCHEMBL3814476 0.86 MAPT (0.67) MAPTMEN1KMT2APTK2BCYP1A2
SCHEMBL4032124 0.81 PLK1 (1.00) MAPTMEN1KMT2APTK2BCYP1A2
Hydrochloric Acid SCHEMBL3808883 0.80 PLK1 (0.98) MAPTMEN1KMT2APTK2BCYP1A2
SCHEMBL23119030 0.80 PLK1 (0.83) MAPTMEN1KMT2APTK2BCYP1A2
SCHEMBL5408359 0.79 MAPT (0.86) MAPTMEN1KMT2APTK2BCYP1A2
SCHEMBL4025195 0.79 MAPT (0.70) MAPTMEN1KMT2APTK2BCYP1A2

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
EP-1597251-B1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-10 EP claimed