SCHEMBL6905033

SCHEMBL6905033

Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2N(C(=O)O)C2CCCC2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 12)

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
LMNA P02545 1/20 0.36
IDO1 P14902 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
NPC1 O15118 1/20 0.34
MPO P05164 1/20 0.34
CRACR2A Q9BSW2 1/20 0.34
PTGFR P43088 1/20 0.34
TP53 P04637 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
SCHEMBL6906583 0.88 AKR1C3 (0.42) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL6900408 0.85 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL6905073 0.83 MAPK13 (0.55) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL5173305 0.80 MAPK13 (0.61) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL6903356 0.80 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6904590 0.80 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL6905074 0.80 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL6397832 0.80 MAPK13 (0.50) MAPK13MAPK12MAPK11MAPK14NPC1
SCHEMBL6905617 0.79 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL6907054 0.79 MAPK13 (0.57) 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