SCHEMBL13810718

SCHEMBL13810718

COc1c(NC(=O)c2cc3c(N(O)O)cccc3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 10/20 0.70
▸ LYN P07948 2/20 0.51
▸ MAPK9 P45984 2/20 0.51
▸ SCARB1 Q8WTV0 6/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ BRAF P15056 2/20 0.41
▸ SRC P12931 1/20 0.39
▸ SYK P43405 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39

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
SCHEMBL13359227 0.88 MAPK14 (0.74) MAPK14LYNMAPK9SCARB1HDAC3
SCHEMBL13797992 0.88 MAPK14 (0.74) MAPK14LYNMAPK9SCARB1HDAC3
SCHEMBL13797937 0.87 MAPK14 (0.73) MAPK14LYNMAPK9SCARB1HDAC3
SCHEMBL13797930 0.87 MAPK14 (0.73) MAPK14LYNMAPK9SCARB1HDAC3
SCHEMBL13811218 0.86 MAPK14 (0.64) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL13810713 0.85 MAPK14 (0.70) MAPK14LYNMAPK9SCARB1BRAF
SCHEMBL13797941 0.84 MAPK14 (0.68) MAPK14LYNMAPK9SCARB1HDAC3
SCHEMBL13797991 0.83 MAPK14 (0.67) MAPK14LYNMAPK9BRAF
SCHEMBL13797932 0.83 MAPK14 (0.67) MAPK14LYNMAPK9SCARB1HDAC3
SCHEMBL13359285 0.83 MAPK14 (1.00) MAPK14LYNMAPK9SCARB1HDAC3

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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