SCHEMBL15401329

SCHEMBL15401329

Oc1c(Br)cc(Br)cc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 5/20 0.61
MAPK12 P53778 5/20 0.61
MAPK11 Q15759 5/20 0.61
MAPK14 Q16539 5/20 0.61
TP53 P04637 5/20 0.61
MAPT P10636 5/20 0.61
GCGR P47871 3/20 0.61
MGAM O43451 1/20 0.59
POLB P06746 2/20 0.52
KDM4E B2RXH2 1/20 0.52
PTPN1 P18031 1/20 0.52
NOX1 Q9Y5S8 2/20 0.52
SMPD3 Q9NY59 1/20 0.52
RAF1 P04049 2/20 0.51
BRAF P15056 1/20 0.51
THRB P10828 1/20 0.50
MAPK9 P45984 1/20 0.48
NT5E P21589 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL8030085 0.83 NOX1 (0.64) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL31429653 0.82 MGAM (0.69) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL4293823 0.79 MGAM (0.79) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL30097907 0.78 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL22408459 0.78 MAPK13 (0.68) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL14045556 0.77 MGAM (0.75) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL12561692 0.76 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL31559160 0.76 MGAM (0.73) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL17133348 0.76 MGAM (0.77) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL13379393 0.76 MGAM (0.72) MAPK13MAPK12MAPK11MAPK14TP53

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