SCHEMBL6812883

SCHEMBL6812883

CCOC(=O)CCC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.76
MAPK13 O15264 12/20 0.76
MAPK12 P53778 12/20 0.76
MAPK11 Q15759 12/20 0.76
ALDH1A1 P00352 3/20 0.44
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 1/20 0.42
AGTR1 P30556 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGFR P00533 1/20 0.41
ERBB3 P21860 1/20 0.41

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
SCHEMBL6817162 0.90 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6097096 0.88 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6095607 0.88 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6095615 0.88 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6817158 0.87 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6393200 0.87 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL2196830 0.85 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6813175 0.85 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6402814 0.85 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11KDM1A
SCHEMBL6821214 0.84 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210320-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP claimed
US-6566554-B1 Including amino benzothiophenones; useful for treatment of inflammatory diseases in which the production of cytokines is involved in the pathogenesis LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2003-05-20 US claimed
EP-1210320-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-06-05 EP claimed
WO-2001005746-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 2001-01-25 WO claimed
EP-1210320-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP disclosed
US-6566554-B1 Including amino benzothiophenones; useful for treatment of inflammatory diseases in which the production of cytokines is involved in the pathogenesis LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2003-05-20 US disclosed
EP-1210320-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-06-05 EP disclosed
WO-2001005746-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 2001-01-25 WO disclosed