SCHEMBL8010209

SCHEMBL8010209

Oc1ccc(-c2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.76
MAPK14 Q16539 9/20 0.73
MAPK13 O15264 8/20 0.73
MAPK12 P53778 8/20 0.73
MAPK11 Q15759 8/20 0.73
GCGR P47871 5/20 0.73
MAPT P10636 4/20 0.73
RAF1 P04049 4/20 0.73
TP53 P04637 3/20 0.73
BRAF P15056 2/20 0.73
CSNK1D P48730 3/20 0.71
MAPK9 P45984 3/20 0.71
CSNK1E P49674 2/20 0.71
PRKD3 O94806 2/20 0.71
MAP4K4 O95819 2/20 0.71
FRK P42685 2/20 0.71
CSNK1A1 P48729 2/20 0.71
GSK3B P49841 2/20 0.71
PTK6 Q13882 2/20 0.71
CLK4 Q9HAZ1 2/20 0.71

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
SCHEMBL5307418 0.93 MAPK13 (0.85) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL18292488 0.93 MAPK13 (0.85) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL9619859 0.93 MAPK13 (0.85) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL252964 0.93 MAPK13 (0.85) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL15401173 0.93 MAPK13 (0.85) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL29587593 0.91 CYP19A1 (0.72) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL31255400 0.91 MAPK13 (0.83) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL14023448 0.91 MAPK14 (0.88) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL12561713 0.91 MAPK13 (0.83) NOX1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6467393 0.87 NOX1 (1.00) NOX1MAPK14MAPK13MAPK12MAPK11

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-2000019994-A9 ESTROGEN RECEPTOR LIGANDS UNIV ILLINOIS (US) 2000-08-31 WO disclosed
WO-2000019994-A1 ESTROGEN RECEPTOR LIGANDS BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-04-13 WO disclosed