SCHEMBL6121104

SCHEMBL6121104

CCOC(=O)c1c(-c2ccc(F)cc2)nn2cc(NS(=O)(=O)CCc3ccc(Br)c(F)c3)c(C3CC3)cc12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.34
SLC34A1 Q06495 8/20 0.33
CHRNA7 P36544 2/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL6120931 0.94 BRAF (0.35) BRAFSLC34A1LMNACA12CA1
SCHEMBL6120407 0.94 BRAF (0.33) BRAF
SCHEMBL6120580 0.91 SLC34A1 (0.32) BRAFSLC34A1CHRNA7ALDH1A1
SCHEMBL6121529 0.90 BRAF (0.37) BRAF
SCHEMBL6121002 0.90 BRAF (0.34) BRAF
SCHEMBL6121823 0.89 CYP3A4 (0.36) BRAF
SCHEMBL6120439 0.89 PTGES2 (0.35) BRAF
SCHEMBL6120362 0.89 MAPK8 (0.39) BRAFSLC34A1KDM4EALDH1A1GAA
SCHEMBL6121578 0.85 BRAF (0.33) BRAF
SCHEMBL6120643 0.84 BRAF (0.34) 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