SCHEMBL30577345

SCHEMBL30577345

NCCOCCOCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.55
▸ BRD4 O60885 3/20 0.54
▸ IKZF1 Q13422 2/20 0.54
▸ TNF P01375 1/20 0.54
▸ IL1B P01584 1/20 0.54
▸ DDB1 Q16531 1/20 0.54
▸ IKZF3 Q9UKT9 1/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ STAT3 P40763 1/20 0.54
▸ MAP1LC3B Q9GZQ8 3/20 0.52
▸ CSNK1A1 P48729 1/20 0.49

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
SCHEMBL19438857 1.00 CRBN (0.55) CRBNBRD4IKZF1TNFIL1B
SCHEMBL19438825 1.00 CRBN (0.55) CRBNBRD4IKZF1TNFIL1B
SCHEMBL20913661 1.00 CRBN (0.55) CRBNBRD4IKZF1TNFIL1B
SCHEMBL24068471 0.96 STAT3 (0.54) CRBNBRD4IKZF1TNFIL1B
SCHEMBL25756265 0.96 CRBN (0.51) CRBNBRD4IKZF1TNFIL1B
SCHEMBL25032251 0.95 STAT3 (0.52) CRBNBRD4IKZF1TNFIL1B
SCHEMBL25756262 0.94 STAT3 (0.51) CRBNBRD4IKZF1TNFIL1B
SCHEMBL23772826 0.93 CRBN (0.55) CRBNBRD4IKZF1TNFIL1B
SCHEMBL20913681 0.93 CRBN (0.55) CRBNBRD4IKZF1TNFIL1B
SCHEMBL17821424 0.93 CRBN (0.55) CRBNBRD4IKZF1TNFIL1B

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
CN-109415336-B MDM2 protein degradation agent 密执安大学评议会 2023-08-29 — — CN disclosed
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