SCHEMBL29260231

SCHEMBL29260231

NN1CCC(CN2CCN(c3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 19/20 0.60
DDB1 Q16531 18/20 0.60
IKZF3 Q9UKT9 5/20 0.60
TNF P01375 1/20 0.60
IL1B P01584 1/20 0.60
TBXA2R P21731 1/20 0.60
IKZF1 Q13422 1/20 0.60
ALDH1A1 P00352 1/20 0.51
CHRM2 P08172 1/20 0.51
OPRM1 P35372 1/20 0.51
CYP1A2 P05177 1/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
BTK Q06187 1/20 0.51

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
SCHEMBL29259962 0.93 CRBN (0.60) CRBNDDB1IKZF3TNFIL1B
SCHEMBL30135913 0.90 CRBN (0.58) CRBNDDB1IKZF3TNFIL1B
SCHEMBL24819465 0.90 CRBN (0.58) CRBNDDB1IKZF3TNFIL1B
SCHEMBL26814086 0.90 CRBN (0.58) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29260084 0.90 CRBN (0.58) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31255447 0.89 CRBN (0.56) CRBNDDB1IKZF3TNFIL1B
SCHEMBL25446186 0.89 CRBN (0.56) CRBNDDB1IKZF3TNFIL1B
SCHEMBL24481010 0.89 DDB1 (0.59) CRBNDDB1IKZF3TNFIL1B
SCHEMBL24834648 0.89 CRBN (0.57) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29986440 0.89 CRBN (0.57) 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
CN-118076607-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2024-05-24 CN disclosed