SCHEMBL29768166

SCHEMBL29768166

Cc1nn(C2CCC(=O)NC2=O)c2cccc(C#CCOC3CCC(CO)CC3)c12

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 16/20 0.39
▸ CRBN Q96SW2 16/20 0.39
▸ IKZF3 Q9UKT9 2/20 0.35
▸ TNF P01375 1/20 0.35
▸ IL1B P01584 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ EGFR P00533 1/20 0.33
▸ GSK3B P49841 2/20 0.33

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
SCHEMBL29079558 0.91 CRBN (0.40) DDB1CRBNIKZF3TNFIL1B
Hydrochloric Acid SCHEMBL29079654 0.90 CRBN (0.40) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29079645 0.90 CRBN (0.39) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29768021 0.90 CRBN (0.39) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29768039 0.86 CRBN (0.37) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29768095 0.86 CRBN (0.37) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29079666 0.85 CRBN (0.37) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29079577 0.84 DDB1 (0.40) DDB1CRBN
SCHEMBL31560434 0.82 CRBN (0.44) DDB1CRBNIKZF3TNFIL1B
SCHEMBL29768091 0.79 CRBN (0.46) DDB1CRBNIKZF3TNFIL1B

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
WO-2022161414-A1 AROMATIC COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATION THEREOF 成都茵创园医药科技有限公司 2022-08-04 — — WO disclosed
Send feedback