SCHEMBL5202103

SCHEMBL5202103

CCOC(=O)On1cc(C(=O)C(=O)N2CCNCC2)c2cc(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)c(OC)cc21

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.51
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MLNR O43193 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM2 P08172 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 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 0.93 MAPK14 (0.51) MAPK14CYP2C9CYP2C19L3MBTL1MEN1
SCHEMBL5205465 0.92 MAPK14 (0.50) MAPK14CYP2C9CYP2C19L3MBTL1MLNR
SCHEMBL5201216 0.92 MAPK14 (0.51) MAPK14CYP2C9CYP2C19L3MBTL1CHRM2
SCHEMBL5202606 0.89 MAPK14 (0.52) MAPK14CYP2C9CYP2C19L3MBTL1MLNR
SCHEMBL5205422 0.89 MAPK14 (0.47) MAPK14CYP2C9CYP2C19L3MBTL1
SCHEMBL5204726 0.87 MAPK14 (0.56) MAPK14CYP2C9CYP2C19MLNRCYP3A4
SCHEMBL14454067 0.87 MAPK14 (0.56) MAPK14CYP2C9CYP2C19MEN1KMT2A
SCHEMBL5204360 0.85 MAPK14 (0.50) MAPK14CYP2C9CYP2C19L3MBTL1KMT2A
SCHEMBL5204693 0.83 MAPK14 (0.52) MAPK14CYP2C9CYP2C19L3MBTL1MLNR
SCHEMBL5205224 0.82 MAPK14 (0.53) MAPK14CYP2C9CYP2C19L3MBTL1MEN1

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