SCHEMBL6817824

SCHEMBL6817824

Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2NC(=O)CCC(C)C)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.67
MAPK13 O15264 12/20 0.67
MAPK12 P53778 12/20 0.67
MAPK11 Q15759 12/20 0.67
MAPK1 P28482 1/20 0.48
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX7 Q99572 1/20 0.38
TP53 P04637 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
SCHEMBL6818388 0.91 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL6094761 0.89 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL6094767 0.89 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL6817091 0.87 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL6904625 0.85 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL7646834 0.85 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL6633621 0.84 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL6817454 0.84 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL6097639 0.83 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11MAPK1
SCHEMBL6824376 0.82 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11MAPK1

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