SCHEMBL13359288

SCHEMBL13359288

COc1c(NC(=O)c2cc3cccc(NC(=O)c4ccco4)c3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.65
▸ LYN P07948 1/20 0.63
▸ MAPK9 P45984 1/20 0.63
▸ MAPT P10636 4/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ BRAF P15056 1/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ ALOX15 P16050 2/20 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
SCHEMBL13797943 0.88 MAPK14 (0.72) MAPK14LYNMAPK9BRAF
SCHEMBL13797938 0.87 MAPK14 (0.73) MAPK14LYNMAPK9BRAF
SCHEMBL13797996 0.86 MAPK14 (0.69) MAPK14LYNMAPK9BRAF
SCHEMBL13797952 0.86 MAPK14 (0.72) MAPK14LYNMAPK9ALDH1A1MEN1
SCHEMBL13797962 0.86 MAPK14 (0.67) MAPK14LYNMAPK9POLBBRAF
SCHEMBL13359242 0.85 MAPK14 (0.68) MAPK14LYNMAPK9BRAF
SCHEMBL13797966 0.84 MAPK14 (0.60) MAPK14LYNMAPK9MAPTALDH1A1
SCHEMBL13797993 0.84 MAPK14 (0.74) MAPK14LYNMAPK9BRAF
SCHEMBL13797947 0.84 MAPK14 (0.69) MAPK14LYNMAPK9ALDH1A1MEN1
SCHEMBL13798007 0.84 LYN (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1497278-B1 HETEROCYCLIC AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2010-05-26 — — EP disclosed
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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