SCHEMBL5203602

SCHEMBL5203602

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

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.51
CYP2C19 P33261 2/20 0.44
CYP2C9 P11712 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL5205465 0.95 MAPK14 (0.50) MAPK14CYP2C19CYP2C9L3MBTL1CYP3A4
SCHEMBL5205422 0.94 MAPK14 (0.47) MAPK14CYP2C19CYP2C9L3MBTL1
SCHEMBL5201216 0.93 MAPK14 (0.51) MAPK14CYP2C19CYP2C9L3MBTL1ALDH1A1
SCHEMBL5202103 0.93 MAPK14 (0.51) MAPK14CYP2C19CYP2C9L3MBTL1KMT2A
SCHEMBL5205224 0.90 MAPK14 (0.53) MAPK14CYP2C19CYP2C9L3MBTL1KMT2A
SCHEMBL5201330 0.90 MAPK14 (0.53) MAPK14CYP2C19CYP2C9KMT2AMEN1
SCHEMBL5204360 0.88 MAPK14 (0.50) MAPK14CYP2C19CYP2C9L3MBTL1KMT2A
SCHEMBL5204693 0.85 MAPK14 (0.52) MAPK14CYP2C19CYP2C9L3MBTL1CYP3A4
SCHEMBL5207414 0.85 MAPK14 (0.52) MAPK14CYP2C19CYP2C9L3MBTL1CYP3A4
SCHEMBL5205260 0.84 MAPK14 (0.49) MAPK14CYP2C19CYP2C9

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