SCHEMBL7027463

SCHEMBL7027463

O=C1N(c2c(Cl)cccc2Cl)Cc2c(-c3ccc(F)cc3F)cc(C(F)(F)F)cc2N1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.40
KCNH2 Q12809 1/20 0.39
MAPK11 Q15759 3/20 0.33
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
P2RX7 Q99572 2/20 0.33

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
SCHEMBL6669233 0.84 MAPK14 (0.46) MAPK14KCNH2MAPK11MAPK13MAPK12
SCHEMBL6667202 0.77 MAPK14 (0.45) MAPK14KCNH2MAPK11MAPK13MAPK12
SCHEMBL6666942 0.71 MAPK14 (0.44) MAPK14MAPK11MAPK13MAPK12CHRM5
SCHEMBL6667962 0.67 MAPK14 (0.33) MAPK14KCNH2MAPK11MAPK13MAPK12
SCHEMBL6672579 0.65 MAPK14 (0.40) MAPK14MAPK11MAPK13MAPK12
SCHEMBL6667115 0.64 MAPK14 (0.67) MAPK14KCNH2MAPK11MAPK13MAPK12
SCHEMBL6668191 0.61 MAPK14 (0.73) MAPK14KCNH2MAPK11MAPK13MAPK12
SCHEMBL6670053 0.60 MAPK14 (0.74) MAPK14KCNH2MAPK11MAPK13MAPK12
SCHEMBL6667213 0.57 MAPK14 (1.00) MAPK14KCNH2MAPK11MAPK13MAPK12
SCHEMBL6667321 0.56 MAPK14 (0.62) 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
WO-2002058695-A9 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2003-09-12 WO disclosed