SCHEMBL6904590

SCHEMBL6904590

Cc1c(Cl)cccc1C(=O)c1ccc(Nc2ccc(Br)cc2N(C(=O)O)C2CCCC2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 11/20 0.51
MAPK12 P53778 11/20 0.51
MAPK11 Q15759 11/20 0.51
MAPK14 Q16539 11/20 0.51
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
TAS1R2 Q8TE23 2/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 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
SCHEMBL6905074 0.87 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL6903356 0.86 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14ALDH1A1
SCHEMBL6905073 0.85 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14MAPT
SCHEMBL1906733 0.81 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL6905033 0.80 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14TP53
SCHEMBL6903370 0.80 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL6402341 0.80 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14TAS1R3
SCHEMBL6905617 0.79 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL6395572 0.79 MAPK14 (0.78) MAPK13MAPK12MAPK11MAPK14MAPK1
SCHEMBL6904778 0.79 MAPK14 (0.64) MAPK13MAPK12MAPK11MAPK14LMNA

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