SCHEMBL6909999

SCHEMBL6909999

Cc1c(Cl)cccc1C(=O)c1ccc(Nc2ccc(Br)cc2NC(=O)C(F)(F)F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.54
MAPK13 O15264 11/20 0.54
MAPK12 P53778 11/20 0.54
MAPK11 Q15759 11/20 0.54
TP53 P04637 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
MT-CO2 P00403 1/20 0.35

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
SCHEMBL6912992 0.93 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6905240 0.89 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6903370 0.89 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL7647816 0.88 MAPK13 (0.62) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6904989 0.86 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6911491 0.85 MAPK13 (0.55) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6905858 0.85 MAPK13 (0.54) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6906857 0.85 MAPK13 (0.59) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6824985 0.84 MAPK13 (0.65) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL1906733 0.84 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11TP53

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