SCHEMBL28907397

SCHEMBL28907397

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.54
▸ BRD4 O60885 3/20 0.53
▸ TNF P01375 1/20 0.53
▸ IL1B P01584 1/20 0.53
▸ IKZF1 Q13422 1/20 0.53
▸ DDB1 Q16531 1/20 0.53
▸ IKZF3 Q9UKT9 1/20 0.53
▸ MAP1LC3B Q9GZQ8 3/20 0.52
▸ HDAC3 O15379 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ STAT3 P40763 1/20 0.51
▸ RIPK2 O43353 1/20 0.50

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
SCHEMBL20913681 0.91 CRBN (0.55) CRBNBRD4TNFIL1BIKZF1
SCHEMBL23772826 0.91 CRBN (0.55) CRBNBRD4TNFIL1BIKZF1
SCHEMBL17821424 0.91 CRBN (0.55) CRBNBRD4TNFIL1BIKZF1
SCHEMBL24778362 0.91 CRBN (0.57) CRBNBRD4TNFIL1BIKZF1
SCHEMBL28707091 0.91 CRBN (0.57) CRBNBRD4TNFIL1BIKZF1
SCHEMBL25757131 0.90 CRBN (0.56) CRBNBRD4TNFIL1BIKZF1
Hydrochloric Acid SCHEMBL23037363 0.90 CRBN (0.56) CRBNBRD4TNFIL1BIKZF1
Hydrochloric Acid SCHEMBL31065058 0.90 CRBN (0.56) CRBNBRD4TNFIL1BIKZF1
SCHEMBL25032419 0.89 CRBN (0.55) CRBNBRD4TNFIL1BIKZF1
SCHEMBL28907406 0.89 CRBN (0.55) 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-115433257-A Imidazopyridazine bifunctional PROTAC molecular compound and preparation and application thereof 广西大学 2022-12-06 — — CN disclosed
CN-112771038-A Pyridazine derivatives as SMARCA2/4 degradants 奥里吉恩发现科技有限公司 2021-05-07 — — CN disclosed
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