SCHEMBL6820653

SCHEMBL6820653

Cc1ccccc1C(=O)c1ccc(Nc2ccccc2NCCCO)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.71
MAPK13 O15264 14/20 0.71
MAPK12 P53778 14/20 0.71
MAPK11 Q15759 14/20 0.71
MT-CO2 P00403 1/20 0.41
AVPR2 P30518 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 1/20 0.39
DHODH Q02127 1/20 0.39
SYK P43405 1/20 0.39
BRD4 O60885 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
SCHEMBL6816785 0.96 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MT-CO2
SCHEMBL6817820 0.87 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MT-CO2
SCHEMBL6097137 0.85 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6817148 0.84 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6093762 0.84 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL1904637 0.84 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL7067747 0.83 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11MT-CO2
SCHEMBL6093728 0.83 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL1906421 0.82 MAPK14 (0.87) MAPK14MAPK13MAPK12MAPK11AVPR2
SCHEMBL6821214 0.82 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11AVPR2

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