SCHEMBL6906823

SCHEMBL6906823

CCOc1ccc(C(=O)c2ccc(Nc3ccc(Br)cc3NC(=O)C(F)(F)F)cc2Cl)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.49
MAPK12 P53778 9/20 0.49
MAPK11 Q15759 9/20 0.49
MAPK14 Q16539 9/20 0.49
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.39
SLC2A1 P11166 1/20 0.38
POLB P06746 2/20 0.37
PPARG P37231 1/20 0.37
TP53 P04637 2/20 0.37
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2199221 0.90 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6821134 0.87 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6911491 0.86 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL1901468 0.86 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6906857 0.86 MAPK13 (0.59) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6817360 0.85 MAPK1 (0.49) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6817365 0.85 MAPK1 (0.49) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6904989 0.85 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6905240 0.85 MAPK14 (0.68) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6910297 0.84 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202957-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP disclosed
US-6555710-B1 Derivatives of 2,2,2-trifluoro-N-2-(benzoylphenylaminophenyl acetamide; antiinflammatory agents, suppression of interleukin (IL)-beta and tumor necrosis factor (TNF)-alpha; antiarthritic, anticholinergic agents; asthma; antiallergens LEO PHARMACEUTICAL PRODUCTS LTD A/S LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 2003-04-29 US disclosed