SCHEMBL6039701

SCHEMBL6039701

O=[C]CN1CC(=O)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.39
EPHX2 P34913 1/20 0.33
TOP2A P11388 2/20 0.32
TOP2B Q02880 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DDB1 Q16531 1/20 0.32
PTGS1 P23219 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7519249 0.80 CRBN (0.38) CRBNEPHX2TOP2ATOP2BALDH1A1
SCHEMBL9827070 0.77 CRBN (0.40) CRBNEPHX2TOP2ATOP2BALDH1A1
SCHEMBL8445095 0.77 CRBN (0.35) CRBNEPHX2
SCHEMBL8999579 0.75 CRBN (0.46) CRBNEPHX2TOP2ATOP2BALDH1A1
SCHEMBL2411663 0.75 CRBN (0.34) CRBN
SCHEMBL5235519 0.71
SCHEMBL561442 0.71
SCHEMBL22114487 0.71
SCHEMBL191785 0.71
SCHEMBL9064412 0.71 CRBN (0.38) CRBNEPHX2TOP2ATOP2BALDH1A1

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
WO-2006038001-A1 AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS CELLTECH R & D LIMITED (GB) 2006-04-13 WO disclosed