SCHEMBL29227459

SCHEMBL29227459

O=C(O)CNc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.55
▸ DDB1 Q16531 13/20 0.55
▸ IKZF2 Q9UKS7 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ CHRM2 P08172 1/20 0.50
▸ OPRM1 P35372 1/20 0.50
▸ IKZF3 Q9UKT9 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TDP1 Q9NUW8 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
SCHEMBL28881370 0.86 CRBN (0.49) CRBNDDB1IKZF2ALDH1A1CHRM2
SCHEMBL30139666 0.85 CRBN (0.59) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL25512523 0.84 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL24474179 0.84 CRBN (0.49) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30139829 0.83 CRBN (0.48) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30579697 0.83 CRBN (0.53) CRBNDDB1IKZF2
SCHEMBL25396789 0.83 CRBN (0.53) CRBNDDB1IKZF2
SCHEMBL22565662 0.83 CRBN (0.55) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20437032 0.82 CRBN (0.52) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL28903628 0.82 CRBN (0.54) CRBNDDB1ALDH1A1CHRM2OPRM1

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-117836299-A Novel bifunctional heterocyclic compounds with Bruton tyrosine kinase decomposition via ubiquitin proteasome pathway and uses thereof 韩国化学研究院 2024-04-05 — — CN disclosed
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