SCHEMBL6653980

SCHEMBL6653980

CCC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.66
MAPK13 O15264 4/20 0.66
MAPK12 P53778 4/20 0.66
MAPK11 Q15759 4/20 0.66
DDR2 Q16832 3/20 0.61
TNF P01375 3/20 0.58
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57
CIT O14578 1/20 0.56
MUSK O15146 1/20 0.56
MAP3K7 O43318 1/20 0.56
RIPK2 O43353 1/20 0.56
STK10 O94804 1/20 0.56
MAP4K4 O95819 1/20 0.56
CHEK2 O96017 1/20 0.56
ABL1 P00519 1/20 0.56
EGFR P00533 1/20 0.56
RAF1 P04049 1/20 0.56
NTRK1 P04629 1/20 0.56
HSPB1 P04792 1/20 0.56

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
SCHEMBL30449051 0.89 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL6334316 0.89 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL30009966 0.88 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL4566793 0.88 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL4953393 0.87 DDR2 (0.64) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL10129913 0.85 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL5257397 0.84 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL6401194 0.84 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL10129968 0.83 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11DDR2
SCHEMBL2787373 0.82 DDR2 (0.61) MAPK14MAPK13MAPK12MAPK11DDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425261-A2 METHOD FOR PRODUCING 4-AMINO-1-NAPHTHOL ETHERS Bayer Chemicals AG (DE) 2004-06-09 EP claimed
WO-2003020686-A2 METHOD FOR PRODUCING 4-AMINO-1-NAPHTHOL ETHERS BAYER CHEMICALS AG (DE) 2003-03-13 WO claimed
EP-1425261-A2 METHOD FOR PRODUCING 4-AMINO-1-NAPHTHOL ETHERS Bayer Chemicals AG (DE) 2004-06-09 EP disclosed
WO-2003020686-A2 METHOD FOR PRODUCING 4-AMINO-1-NAPHTHOL ETHERS BAYER CHEMICALS AG (DE) 2003-03-13 WO disclosed