SCHEMBL6120952

SCHEMBL6120952

CNC(=O)c1c(-c2ccc(Cl)cc2)nn2cc(NS(=O)(=O)CCCO)c(C3CC3)cc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
WDR5 P61964 2/20 0.32
MALT1 Q9UDY8 3/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SLC2A1 P11166 1/20 0.31

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
SCHEMBL2991900 0.92 BRAF (0.39) BRAFWDR5
SCHEMBL6120724 0.87 KDM4E (0.38) KDM4EALDH1A1MAPTMAPK1WDR5
SCHEMBL6120612 0.85 MAPT (0.38) ALDH1A1MAPTMALT1
SCHEMBL6121078 0.84 PTGES2 (0.35) BRAFWDR5
SCHEMBL6120639 0.83 WDR5 (0.37) BRAFWDR5
SCHEMBL6120874 0.83 BRAF (0.36) BRAFWDR5
SCHEMBL2989868 0.83 BRAF (0.45) BRAF
SCHEMBL2994080 0.82 BRAF (0.38) BRAFWDR5
SCHEMBL6121119 0.81 BRAF (0.36) BRAFWDR5
SCHEMBL2999832 0.80 BRAF (0.46) BRAF

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
WO-2012067664-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-05-24 WO disclosed