SCHEMBL6869428

SCHEMBL6869428

O=C(O)N1CC=C(c2cc(-c3ccccc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.60
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49

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
SCHEMBL6670222 0.87 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6870033 0.85 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6870111 0.84 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6669715 0.80 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6867045 0.77 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6870261 0.75 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11
SCHEMBL23064245 0.74 ALDH1A1 (0.48)
SCHEMBL6668998 0.73 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6864891 0.73 MAPK14 (0.84) MAPK14MAPK11
SCHEMBL6667666 0.72 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11

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