SCHEMBL6817802

SCHEMBL6817802

CCOc1cc(Nc2ccc(Br)cc2NC(=O)CCC(=O)O)ccc1C(=O)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.48
MAPK13 O15264 8/20 0.48
MAPK12 P53778 8/20 0.48
MAPK11 Q15759 8/20 0.48
MAPK14 Q16539 8/20 0.48
CYP2C19 P33261 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 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
SCHEMBL6817801 1.00 MAPK1 (0.48) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6817201 0.91 CYP2C19 (0.46) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6817204 0.91 CYP2C19 (0.46) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6904569 0.91 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6821145 0.86 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6094761 0.85 MAPK14 (0.66) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6817035 0.85 MAPK1 (0.52) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6817036 0.85 MAPK1 (0.52) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6094767 0.85 MAPK14 (0.66) MAPK1MAPK13MAPK12MAPK11MAPK14
SCHEMBL6911630 0.85 MAPK13 (0.48) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2

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 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