SCHEMBL6905074

SCHEMBL6905074

Cc1cc(C)c(C(=O)c2ccc(Nc3ccc(Br)cc3N(C(=O)O)C3CCCC3)cc2Cl)cc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.50
MAPK12 P53778 11/20 0.50
MAPK11 Q15759 11/20 0.50
MAPK14 Q16539 11/20 0.50
POLB P06746 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RPA1 P27694 1/20 0.34
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6903356 0.91 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL6905073 0.90 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL6904590 0.87 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14HTT
SCHEMBL6905033 0.80 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6905886 0.79 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6906583 0.79 AKR1C3 (0.42) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL6905617 0.79 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL6396062 0.79 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL6904778 0.78 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL6401051 0.78 MAPK14 (0.78) MAPK13MAPK12MAPK11MAPK14L3MBTL1

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