SCHEMBL29079558

SCHEMBL29079558

Cc1nn(C2CCC(=O)NC2=O)c2cccc(C#CCOC3CCNCC3)c12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.40
▸ DDB1 Q16531 17/20 0.40
▸ IKZF3 Q9UKT9 2/20 0.35
▸ TNF P01375 1/20 0.34
▸ IL1B P01584 1/20 0.34
▸ GSK3B P49841 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32

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
Hydrochloric Acid SCHEMBL29079654 0.99 CRBN (0.40) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29768039 0.95 CRBN (0.37) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29768095 0.95 CRBN (0.37) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29079645 0.92 CRBN (0.39) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29768021 0.92 CRBN (0.39) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29768166 0.91 DDB1 (0.39) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29079666 0.89 CRBN (0.37) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29079584 0.88 CRBN (0.36) CRBNDDB1
SCHEMBL29079583 0.85 CRBN (0.36) CRBNDDB1IKZF3
SCHEMBL29079626 0.85 CRBN (0.36) CRBNDDB1IKZF3GSK3B

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-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 — — CN disclosed
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