SCHEMBL30628170

SCHEMBL30628170

O=C(O)CCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.62
▸ BRD4 O60885 3/20 0.59
▸ IKZF3 Q9UKT9 2/20 0.58
▸ IKZF1 Q13422 2/20 0.58
▸ TNF P01375 1/20 0.58
▸ IL1B P01584 1/20 0.58
▸ DDB1 Q16531 1/20 0.58
▸ MAP1LC3B Q9GZQ8 5/20 0.56
▸ CSNK1A1 P48729 1/20 0.54

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
SCHEMBL16569451 1.00 CRBN (0.62) CRBNBRD4IKZF3IKZF1TNF
SCHEMBL19611888 0.94 CRBN (0.55) CRBNBRD4IKZF3IKZF1TNF
SCHEMBL19612074 0.94 CRBN (0.55) CRBNBRD4IKZF3IKZF1TNF
SCHEMBL22464461 0.94 CRBN (0.60) CRBNBRD4IKZF3IKZF1TNF
SCHEMBL464519 0.94 CRBN (0.60) CRBNBRD4IKZF3IKZF1TNF
SCHEMBL23772949 0.93 CRBN (0.59) CRBNBRD4IKZF3IKZF1TNF
SCHEMBL29137874 0.93 CRBN (0.59) CRBNBRD4IKZF3IKZF1TNF
SCHEMBL22464808 0.93 CRBN (0.59) CRBNBRD4IKZF3IKZF1TNF
SCHEMBL20362334 0.93 CRBN (0.59) CRBNBRD4IKZF3IKZF1TNF
SCHEMBL22464605 0.92 CRBN (0.64) CRBNBRD4IKZF3IKZF1TNF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111205282-B ER protein modulators and uses thereof 上海科技大学 2023-12-01 — — CN disclosed
CN-110240629-B Protein degradation targeting BCR-ABL compound and antitumor application thereof 上海科技大学 2023-10-03 — — CN disclosed
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