SCHEMBL13797962

SCHEMBL13797962

COc1c(NC(=O)c2cc3cccc(NC(=O)Cc4ccccc4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.67
▸ LYN P07948 1/20 0.62
▸ MAPK9 P45984 1/20 0.62
▸ SCARB1 Q8WTV0 6/20 0.44
▸ BRAF P15056 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL13797952 0.89 MAPK14 (0.72) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL13797943 0.87 MAPK14 (0.72) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL13797968 0.87 MAPK14 (0.69) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL13797938 0.86 MAPK14 (0.73) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL13359288 0.86 MAPK14 (0.65) MAPK14LYNMAPK9BRAFPOLB
SCHEMBL13797996 0.85 MAPK14 (0.69) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL13797947 0.85 MAPK14 (0.69) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL13359242 0.85 MAPK14 (0.68) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL13797949 0.84 MAPK14 (0.68) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL13798012 0.84 LYN (0.60) MAPK14LYNMAPK9BRAF

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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