SCHEMBL29768094

SCHEMBL29768094

CNC1CCN(Cc2cccc3c2c(C)nn3C2CCC(=O)NC2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.43
▸ DDB1 Q16531 15/20 0.43
▸ IKZF3 Q9UKT9 5/20 0.39
▸ IKZF2 Q9UKS7 4/20 0.38
▸ TNF P01375 1/20 0.36
▸ IL1B P01584 1/20 0.36

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
SCHEMBL29079651 0.88 CRBN (0.43) CRBNDDB1IKZF3IKZF2TNF
SCHEMBL29768075 0.81 CRBN (0.36) CRBNDDB1IKZF3IKZF2
SCHEMBL31342076 0.79 CRBN (0.46) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29079659 0.78 CRBN (0.40) CRBNDDB1IKZF3TNFIL1B
Hydrochloric Acid SCHEMBL29079560 0.77 CRBN (0.39) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29768218 0.77 CRBN (0.42) CRBNDDB1IKZF3TNFIL1B
SCHEMBL21071320 0.77 DDB1 (0.54) CRBNDDB1IKZF3IKZF2
SCHEMBL30574628 0.76 CRBN (0.41) CRBNDDB1IKZF3TNFIL1B
Hydrochloric Acid SCHEMBL30392700 0.76 DDB1 (0.53) CRBNDDB1IKZF3IKZF2
SCHEMBL29079566 0.76 CRBN (0.50) CRBNDDB1IKZF3TNFIL1B

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
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