SCHEMBL13797966

SCHEMBL13797966

COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccc([N+](=O)[O-])o4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.60
▸ LYN P07948 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ ALDH1A1 P00352 5/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MITF O75030 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ LMNA P02545 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ GAA P10253 1/20 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
SCHEMBL13359141 0.88 LYN (0.45) MAPK14LYNMAPK9ALDH1A1MEN1
SCHEMBL13797936 0.85 MAPK14 (0.68) MAPK14LYNMAPK9ALDH1A1MEN1
SCHEMBL13359288 0.84 MAPK14 (0.65) MAPK14LYNMAPK9ALDH1A1MEN1
SCHEMBL13797996 0.84 MAPK14 (0.69) MAPK14LYNMAPK9
SCHEMBL13797943 0.84 MAPK14 (0.72) MAPK14LYNMAPK9
SCHEMBL13797938 0.83 MAPK14 (0.73) MAPK14LYNMAPK9
SCHEMBL13797952 0.82 MAPK14 (0.72) MAPK14LYNMAPK9ALDH1A1MEN1
SCHEMBL13359242 0.81 MAPK14 (0.68) MAPK14LYNMAPK9
SCHEMBL13797962 0.80 MAPK14 (0.67) MAPK14LYNMAPK9POLB
SCHEMBL13797993 0.80 MAPK14 (0.74) MAPK14LYNMAPK9

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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