SCHEMBL15400824

SCHEMBL15400824

COc1ccc(-c2nc(-c3ccc(-c4nc(-c5ccc(OC)cc5)c(-c5ccc(OC)cc5)[nH]4)cc3)[nH]c2-c2ccc(OC)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.85
MAPT P10636 4/20 0.76
MAPK13 O15264 4/20 0.76
MAPK12 P53778 4/20 0.76
MAPK11 Q15759 4/20 0.76
MAPK14 Q16539 4/20 0.76
TP53 P04637 2/20 0.76
RAF1 P04049 2/20 0.76
GCGR P47871 2/20 0.74
ALOX5 P09917 1/20 0.74
SMPD3 Q9NY59 2/20 0.71
ALDH1A1 P00352 4/20 0.70
MEN1 O00255 3/20 0.70
HPGD P15428 3/20 0.70
KMT2A Q03164 3/20 0.70
KDM4E B2RXH2 3/20 0.70
CYP1A2 P05177 1/20 0.70
GLA P06280 1/20 0.70
GAA P10253 1/20 0.70
CYP2C19 P33261 1/20 0.70

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
SCHEMBL8008805 1.00 NOX1 (0.85) NOX1MAPTMAPK13MAPK12MAPK11
SCHEMBL3455232 0.95 NOX1 (0.77) NOX1MAPTMAPK13MAPK12MAPK11
SCHEMBL15400046 0.94 MAPK13 (0.86) NOX1MAPTMAPK13MAPK12MAPK11
SCHEMBL1132001 0.94 MAPK13 (0.86) NOX1MAPTMAPK13MAPK12MAPK11
SCHEMBL8104080 0.94 MAPK13 (0.86) NOX1MAPTMAPK13MAPK12MAPK11
SCHEMBL1308320 0.94 MAPK13 (0.86) NOX1MAPTMAPK13MAPK12MAPK11
SCHEMBL6464698 0.92 NOX1 (0.74) NOX1MAPTMAPK13MAPK12MAPK11
SCHEMBL11082212 0.92 MAPK13 (0.87) NOX1MAPTMAPK13MAPK12MAPK11
SCHEMBL6467393 0.92 NOX1 (1.00) NOX1MAPTMAPK13MAPK12MAPK11
SCHEMBL6468959 0.92 NOX1 (0.74) NOX1MAPTMAPK13MAPK12MAPK11

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
US-20140004071-A1 Thermochromic Dental Material BROWN WILLIAM STEVEN (US) 2014-01-02 US disclosed