SCHEMBL6911630

SCHEMBL6911630

CCOc1cc(Nc2ccc(Br)cc2NC(=O)C(F)(F)F)ccc1C(=O)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 0.48
MAPK12 P53778 10/20 0.48
MAPK11 Q15759 10/20 0.48
MAPK14 Q16539 10/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL6904569 0.90 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6821145 0.86 MAPK13 (0.60) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6905834 0.85 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6817801 0.85 MAPK1 (0.48) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6817802 0.85 MAPK1 (0.48) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6905240 0.84 MAPK14 (0.68) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6396132 0.83 MAPK14 (0.70) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL6906823 0.82 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6395887 0.82 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14SMN1; SMN2
SCHEMBL7195744 0.80 MAPK13 (0.56) 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 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