SCHEMBL6817170

SCHEMBL6817170

Cc1ccccc1C(=S)c1ccc(Nc2ccccc2NC(=O)CCCBr)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.56
MAPK13 O15264 10/20 0.56
MAPK12 P53778 10/20 0.56
MAPK11 Q15759 10/20 0.56
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.39
AVPR2 P30518 1/20 0.39

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
SCHEMBL6813046 0.90 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6813199 0.89 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL6817357 0.88 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6820921 0.87 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6813027 0.86 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6816961 0.85 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6817162 0.85 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6817707 0.83 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11HDAC3
SCHEMBL6813121 0.80 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL6818388 0.80 MAPK14 (0.55) 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