SCHEMBL6905065

SCHEMBL6905065

COc1ccc(C(=O)c2ccc(Nc3ccc(Br)cc3NC(=O)O)cc2F)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.49
AKR1C2 P52895 11/20 0.49
GPR35 Q9HC97 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7646956 0.93 AKR1C3 (0.46) AKR1C3AKR1C2GPR35MAPK13MAPK12
SCHEMBL6910336 0.91 AKR1C3 (0.43) AKR1C3AKR1C2GPR35MAPK13MAPK12
SCHEMBL6817865 0.90 HTT (0.44) AKR1C3AKR1C2GPR35MAPK13MAPK12
SCHEMBL6817857 0.90 HTT (0.44) AKR1C3AKR1C2GPR35MAPK13MAPK12
SCHEMBL6824663 0.89 MAPK13 (0.48) AKR1C3AKR1C2GPR35MAPK13MAPK12
SCHEMBL6402370 0.87 MAPK14 (0.57) AKR1C3AKR1C2GPR35MAPK13MAPK12
SCHEMBL6399972 0.86 AKR1C3 (0.40) AKR1C3AKR1C2GPR35MAPK13MAPK12
SCHEMBL6907054 0.85 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14KMT2A
SCHEMBL7198684 0.83 AKR1C3 (0.53) AKR1C3AKR1C2MAPK13MAPK12MAPK11
SCHEMBL6813097 0.81 HTT (0.43) AKR1C3AKR1C2GPR35MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202959-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP claimed