SCHEMBL13797948

SCHEMBL13797948

COc1c(NC(=O)c2cc3c(Cl)ccc([N+](=O)[O-])c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 8/20 0.56
▸ LYN P07948 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ BRAF P15056 1/20 0.39
▸ USP7 Q93009 2/20 0.39
▸ USP47 Q96K76 2/20 0.39
▸ SCARB1 Q8WTV0 5/20 0.38
▸ LMNA P02545 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL13797998 0.87 MAPK14 (0.61) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13359211 0.86 MAPK14 (0.40) MAPK14LYNMAPK9USP7USP47
SCHEMBL13359224 0.86 MAPK14 (0.62) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13798001 0.86 MAPK14 (0.60) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797936 0.84 MAPK14 (0.68) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13811033 0.84 MAPK14 (0.58) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13359213 0.84 MAPK14 (0.60) MAPK14LYNMAPK9BRAFUSP7
SCHEMBL13797941 0.83 MAPK14 (0.68) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797930 0.81 MAPK14 (0.73) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL3257780 0.79 LYN (0.56) MAPK14LYNMAPK9BRAFMAPK1

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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