SCHEMBL5205103

SCHEMBL5205103

CCOC(=O)On1cc(C(=O)C(=O)N2CCOCC2)c2cc(C(=O)N3CC(C)N(Cc4ccc(F)cc4)CC3C)c(OC)cc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.46
MAPK11 Q15759 2/20 0.46
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
NQO2 P16083 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
ACTR2 P61160 1/20 0.46
ALOX5 P09917 1/20 0.38
CCR1 P32246 7/20 0.38
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5204507 0.90 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14185128 0.88 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14185098 0.84 MAPK14 (0.42) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5201216 0.84 MAPK14 (0.51) MAPK14ALOX5ALDH1A1MAPT
SCHEMBL20883157 0.82 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14185145 0.80 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL4503016 0.80 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14185126 0.78 MAPK14 (0.73) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL14294593 0.77 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK12NQO2
SCHEMBL5203602 0.77 MAPK14 (0.51) MAPK14ALDH1A1KMT2AMEN1

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