SCHEMBL6906583

SCHEMBL6906583

COc1ccc(C(=O)c2ccc(Nc3ccc(Br)cc3N(C(=O)O)C3CCCC3)cc2F)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.42
AKR1C2 P52895 9/20 0.42
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LSS P48449 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DGAT1 O75907 1/20 0.34

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
SCHEMBL6905033 0.88 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL6905073 0.82 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6399972 0.82 AKR1C3 (0.40) AKR1C3AKR1C2MAPK13MAPK12MAPK11
SCHEMBL6905065 0.80 AKR1C3 (0.49) AKR1C3AKR1C2MAPK13MAPK12MAPK11
SCHEMBL6402370 0.79 MAPK14 (0.57) AKR1C3AKR1C2MAPK13MAPK12MAPK11
SCHEMBL6905074 0.79 MAPK13 (0.50) AKR1C3AKR1C2MAPK13MAPK12MAPK11
SCHEMBL7646956 0.78 AKR1C3 (0.46) AKR1C3AKR1C2MAPK13MAPK12MAPK11
SCHEMBL6900408 0.78 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL7198684 0.76 AKR1C3 (0.53) AKR1C3AKR1C2MAPK13MAPK12MAPK11
SCHEMBL6903356 0.76 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14MEN1

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