SCHEMBL13797952

SCHEMBL13797952

COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccccc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.72
▸ LYN P07948 1/20 0.71
▸ MAPK9 P45984 1/20 0.71
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ BRAF P15056 6/20 0.46
▸ SCARB1 Q8WTV0 3/20 0.43
▸ GSK3A P49840 1/20 0.41

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
SCHEMBL13797953 0.92 LYN (0.71) MAPK14LYNMAPK9BRAF
SCHEMBL13797943 0.91 MAPK14 (0.72) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797968 0.91 MAPK14 (0.69) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13798007 0.91 LYN (0.71) MAPK14LYNMAPK9BRAF
SCHEMBL3257628 0.90 LYN (0.72) MAPK14LYNMAPK9ALDH1A1KMT2A
SCHEMBL13797938 0.90 MAPK14 (0.73) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797958 0.90 LYN (0.72) MAPK14LYNMAPK9BRAF
SCHEMBL13797996 0.89 MAPK14 (0.69) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797962 0.89 MAPK14 (0.67) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797947 0.89 MAPK14 (0.69) MAPK14LYNMAPK9ALDH1A1MEN1

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 2 patents. 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
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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