SCHEMBL5205422

SCHEMBL5205422

CCOC(=O)On1cc(C(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.47
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.40
CCR3 P51677 1/20 0.38
TP53 P04637 3/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL5203602 0.94 MAPK14 (0.51) MAPK14CYP2C9CYP2C19L3MBTL1
SCHEMBL5205465 0.91 MAPK14 (0.50) MAPK14CYP2C9CYP2C19L3MBTL1
SCHEMBL5205260 0.90 MAPK14 (0.49) MAPK14CYP2C9CYP2C19DNMT3ACCR3
SCHEMBL5202103 0.89 MAPK14 (0.51) MAPK14CYP2C9CYP2C19L3MBTL1
SCHEMBL5201216 0.89 MAPK14 (0.51) MAPK14CYP2C9CYP2C19L3MBTL1
SCHEMBL5207420 0.88 MAPK14 (0.52) MAPK14CYP2C9CYP2C19DNMT3ACCR3
SCHEMBL5205224 0.84 MAPK14 (0.53) MAPK14CYP2C9CYP2C19L3MBTL1
SCHEMBL5201330 0.84 MAPK14 (0.53) MAPK14CYP2C9CYP2C19TP53
SCHEMBL5204360 0.84 MAPK14 (0.50) MAPK14CYP2C9CYP2C19TP53L3MBTL1
SCHEMBL5202149 0.82 MAPK14 (0.51) MAPK14CYP2C9CYP2C19CCR3LMNA

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-1178983-B1 INDOLE-TYPE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS INC (US) 2007-10-24 EP claimed