SCHEMBL6574305

SCHEMBL6574305

Cc1ccccc1C1OC=C(C(C)(C)C)C=C1N=NNC(=O)Nc1ccc(OCC(=O)N2CCOCC2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MAPK14 Q16539 10/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TNF P01375 3/20 0.38
MAPK13 O15264 3/20 0.38
MAPK12 P53778 3/20 0.38
MAPK11 Q15759 3/20 0.38
CIT O14578 1/20 0.38
MUSK O15146 1/20 0.38
MAP3K7 O43318 1/20 0.38
RIPK2 O43353 1/20 0.38
STK10 O94804 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38
NTRK1 P04629 1/20 0.38
HSPB1 P04792 1/20 0.38

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
SCHEMBL6573955 0.88 MAPK14 (0.38) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL6577736 0.87 MAPK14 (0.39) MAPK14KDM4ETNFMAPK13MAPK12
SCHEMBL6575816 0.84 MAPK14 (0.43) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL6573756 0.82 MAPK14 (0.42) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL6576754 0.81 MAPK14 (0.41) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL6575687 0.81 MAPK14 (0.44) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL6416656 0.74 MAPK14 (0.57) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL6573009 0.72 MAPK14 (0.48) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL6051695 0.69 MAPK14 (0.55) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL5252052 0.69 MAPK14 (0.64) SMN1; SMN2MAPK14MAPTKDM4ETNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408950-A2 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-04-21 EP disclosed
WO-2003005999-A2 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-01-23 WO disclosed