SCHEMBL28907406

SCHEMBL28907406

NC(=O)OCCCC(=O)Nc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.55
▸ BRD4 O60885 4/20 0.54
▸ TNF P01375 1/20 0.54
▸ IL1B P01584 1/20 0.54
▸ IKZF1 Q13422 1/20 0.54
▸ DDB1 Q16531 1/20 0.54
▸ IKZF3 Q9UKT9 1/20 0.54
▸ MAP1LC3B Q9GZQ8 3/20 0.53
▸ HDAC3 O15379 1/20 0.52
▸ HDAC1 Q13547 1/20 0.52

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
SCHEMBL28707091 0.95 CRBN (0.57) CRBNBRD4TNFIL1BIKZF1
SCHEMBL28612530 0.90 CRBN (0.60) CRBNBRD4TNFIL1BIKZF1
SCHEMBL26321021 0.90 CRBN (0.64) CRBNBRD4TNFIL1BIKZF1
SCHEMBL26321010 0.90 CRBN (0.64) CRBNBRD4TNFIL1BIKZF1
SCHEMBL28600939 0.89 CRBN (0.59) CRBNBRD4TNFIL1BIKZF1
SCHEMBL26317744 0.89 CRBN (0.63) CRBNBRD4TNFIL1BIKZF1
SCHEMBL26323878 0.89 CRBN (0.63) CRBNBRD4TNFIL1BIKZF1
SCHEMBL26321035 0.89 CRBN (0.63) CRBNBRD4TNFIL1BIKZF1
SCHEMBL26323874 0.89 CRBN (0.63) CRBNBRD4TNFIL1BIKZF1
SCHEMBL28907397 0.89 CRBN (0.54) CRBNBRD4TNFIL1BIKZF1

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-116854667-A Proteolytic targeted chimera for targeted degradation of PD-L1 and application thereof 浙江工业大学 2023-10-10 — — CN disclosed
CN-115433257-A Imidazopyridazine bifunctional PROTAC molecular compound and preparation and application thereof 广西大学 2022-12-06 — — CN disclosed
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