SCHEMBL6817036

SCHEMBL6817036

Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2NC(=O)CCC(=O)O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
MAPK13 O15264 10/20 0.51
MAPK12 P53778 10/20 0.51
MAPK11 Q15759 10/20 0.51
MAPK14 Q16539 10/20 0.51
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL6817035 1.00 MAPK1 (0.52) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6820656 0.91 MAPK1 (0.46) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6907054 0.89 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL6094761 0.89 MAPK14 (0.66) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6094767 0.89 MAPK14 (0.66) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6817865 0.87 HTT (0.44) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6817857 0.87 HTT (0.44) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6817801 0.85 MAPK1 (0.48) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6817802 0.85 MAPK1 (0.48) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6821115 0.84 MAPK13 (0.63) MAPK13MAPK12MAPK11MAPK14KMT2A

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 6 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-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