SCHEMBL6912992

SCHEMBL6912992

Cc1cccc(C(=O)c2ccc(Nc3ccc(Br)cc3NC(=O)C(F)(F)F)cc2Cl)c1C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.58
MAPK13 O15264 12/20 0.58
MAPK12 P53778 12/20 0.58
MAPK11 Q15759 12/20 0.58
TP53 P04637 1/20 0.39
MAPT P10636 2/20 0.38
MPO P05164 1/20 0.38
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMO Q99835 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
SCHEMBL6909999 0.93 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6905240 0.92 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL27484493 0.89 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6904989 0.87 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6911491 0.87 MAPK13 (0.55) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6905858 0.86 MAPK13 (0.54) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6906857 0.86 MAPK13 (0.59) MAPK14MAPK13MAPK12MAPK11TP53
SCHEMBL6824188 0.84 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6813023 0.83 MAPK1 (0.57) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6903370 0.82 MAPK14 (0.59) 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