SCHEMBL5202149

SCHEMBL5202149

COc1cc2c(cc1C(=O)N1CCC(Cc3ccc(F)cc3)CC1)c(C(=O)C(=O)N1CCN(OC(=O)OC(C)(C)C)CC1)cn2C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.51
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CCR3 P51677 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 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
SCHEMBL5207420 0.91 MAPK14 (0.52) MAPK14CYP2C9CYP2C19CCR3LMNA
SCHEMBL5204360 0.91 MAPK14 (0.50) MAPK14CYP2C9CYP2C19ALDH1A1
SCHEMBL14561321 0.89 MAPK14 (0.51) MAPK14CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL5201020 0.88 MAPK14 (0.56) MAPK14CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL5237535 0.87 MAPK14 (0.47) MAPK14CYP2C9CYP2C19CCR3
SCHEMBL5235926 0.86 MAPK14 (0.69) MAPK14CYP2C9CYP2C19
SCHEMBL5201330 0.85 MAPK14 (0.53) MAPK14CYP2C9CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL5203992 0.85 MAPK14 (0.56) MAPK14CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL5204726 0.85 MAPK14 (0.56) MAPK14CYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL20883210 0.84 MAPK14 (0.49) MAPK14CYP2C9CYP2C19CCR3

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