SCHEMBL6696781

SCHEMBL6696781

COc1ccc(CN2Cc3c(-c4ccccc4Cl)cc(S(=O)(=O)ON4CCN(CCN(C)C)CC4)cc3N(c3c(Cl)cccc3Cl)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.39
CHRM5 P08912 1/20 0.38
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CACNA1S Q13698 1/20 0.34

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
SCHEMBL6668537 0.91 ALDH1A1 (0.43) MAPK14CHRM5LMNAALDH1A1MAPK1
SCHEMBL6644394 0.82 MAPK14 (0.48) MAPK14CHRM5LMNAALDH1A1MAPK1
SCHEMBL6669384 0.78 MAPK14 (0.43) MAPK14CHRM5LMNAALDH1A1MAPK1
SCHEMBL6667226 0.77 MAPK14 (0.51) MAPK14CHRM5TSHR
SCHEMBL6667945 0.77 MAPK14 (0.53) MAPK14CHRM5TSHR
SCHEMBL6666877 0.76 MAPK14 (0.42) MAPK14CHRM5LMNAALDH1A1MAPK1
SCHEMBL6670125 0.76 MAPK14 (0.42) MAPK14CHRM5LMNAALDH1A1MAPK1
SCHEMBL6672647 0.75 MAPK14 (0.48) MAPK14CHRM5
SCHEMBL6668236 0.74 MAPK14 (0.50) MAPK14CHRM5
SCHEMBL6668734 0.74 MAPK14 (0.48) MAPK14CHRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345603-A4 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2004-09-08 EP disclosed
EP-1345603-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS Merck & Co., Inc. (US) 2003-09-24 EP disclosed
WO-2002058695-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2002-08-01 WO disclosed