SCHEMBL13797936

SCHEMBL13797936

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 7/20 0.68
▸ LYN P07948 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ BRAF P15056 4/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SCARB1 Q8WTV0 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 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
SCHEMBL13359213 0.87 MAPK14 (0.60) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797993 0.86 MAPK14 (0.74) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797941 0.86 MAPK14 (0.68) MAPK14LYNMAPK9BRAFNPC1
SCHEMBL13359286 0.86 MAPK14 (0.49) MAPK14LYNMAPK9NPC1MAPK1
SCHEMBL13797938 0.85 MAPK14 (0.73) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL4001894 0.85 MAPK14 (0.73) MAPK14LYNMAPK9BRAFSMN1; SMN2
SCHEMBL13359122 0.85 MAPK14 (0.73) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797996 0.85 MAPK14 (0.69) MAPK14LYNMAPK9BRAFSCARB1
SCHEMBL13797966 0.85 MAPK14 (0.60) MAPK14LYNMAPK9NPC1RAB9A
SCHEMBL13797943 0.85 MAPK14 (0.72) MAPK14LYNMAPK9BRAFSCARB1

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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