SCHEMBL6817595

SCHEMBL6817595

CCCC(C)C(=O)Nc1ccccc1Nc1ccc(C(=S)c2ccccc2C)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.58
MAPK13 O15264 10/20 0.58
MAPK12 P53778 10/20 0.58
MAPK11 Q15759 10/20 0.58
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
AVPR2 P30518 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
DHODH Q02127 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
SCHEMBL6817660 0.90 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL6820921 0.82 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6813027 0.81 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6813199 0.81 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6817357 0.79 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL7075394 0.79 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL5174459 0.79 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11KDM4E
SCHEMBL6817162 0.78 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL1906857 0.78 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6817560 0.78 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11KDM4E

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 4 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 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