SCHEMBL13797996

SCHEMBL13797996

C=C(C)Nc1cccc2cc(C(=O)Nc3cc(C(C)(C)C)cc(NS(C)(=O)=O)c3OC)sc12

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.69
▸ LYN P07948 1/20 0.67
▸ MAPK9 P45984 1/20 0.67
▸ BRAF P15056 7/20 0.42
▸ SCARB1 Q8WTV0 5/20 0.40

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
SCHEMBL13797943 0.93 MAPK14 (0.72) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797938 0.90 MAPK14 (0.73) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797952 0.89 MAPK14 (0.72) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13359242 0.89 MAPK14 (0.68) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797993 0.87 MAPK14 (0.74) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797968 0.87 MAPK14 (0.69) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797953 0.87 LYN (0.71) MAPK14LYNMAPK9BRAF
SCHEMBL13797947 0.87 MAPK14 (0.69) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13798007 0.87 LYN (0.71) MAPK14LYNMAPK9BRAF
SCHEMBL4001894 0.86 MAPK14 (0.73) MAPK14LYNMAPK9BRAFSCARB1

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-7550461-B2 Benzofuran and benzothiophene compounds useful in treating cytokine mediated diseases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-06-23 — — US disclosed
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