SCHEMBL4732271

SCHEMBL4732271

O=C1CCc2c(Br)cc(C3=CCC4(CC3)OCCO4)cc2N1c1c(Cl)cccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.37
MAPK14 Q16539 2/20 0.35
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 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
SCHEMBL14203905 0.84 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6672601 0.77 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4732955 0.76 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL4730689 0.71 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL6670174 0.69 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL20010985 0.67 HTR2C (0.47) SUV39H2IKBKETBK1
SCHEMBL14337345 0.67 SUV39H2 (0.40) SUV39H2IKBKETBK1
SCHEMBL23484640 0.66 SUV39H2 (0.45) SUV39H2IKBKETBK1GAA
SCHEMBL14403246 0.66 TBK1 (0.43) SUV39H2IKBKETBK1
SCHEMBL20010988 0.65 SUV39H2 (0.40) SUV39H2MAPK14IKBKETBK1

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-2008053158-A1 INHIBITORS OF P38 MITOGEN-ACTIVATED PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed
WO-2008053158-A1 INHIBITORS OF P38 MITOGEN-ACTIVATED PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 WO disclosed