SCHEMBL6866462

SCHEMBL6866462

O=c1ccc2c(-c3ccc(F)cc3F)nc(S(=O)(=O)C(F)(F)F)nc2n1-c1c(Cl)cccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.56
MAPK11 Q15759 10/20 0.56
MAPK13 O15264 9/20 0.56
MAPK12 P53778 9/20 0.56
KCNH2 Q12809 1/20 0.47

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
SCHEMBL6859846 0.80 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL4181561 0.79 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL4463596 0.78 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL14201929 0.77 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL6668637 0.74 MAPK14 (0.70) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL4174284 0.73 MAPK14 (0.48) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL4485577 0.73 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL1059157 0.72 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL6671359 0.72 MAPK14 (1.00) MAPK14MAPK11MAPK13MAPK12KCNH2
SCHEMBL6666576 0.71 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12

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-6809199-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES MERCK & CO., INC. 2004-10-26 US disclosed