SCHEMBL25647409

SCHEMBL25647409

Nc1ccc(N2CCN(Cc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 19/20 0.57
DDB1 Q16531 12/20 0.53
IKZF3 Q9UKT9 9/20 0.53
ALDH1A1 P00352 1/20 0.46
CHRM2 P08172 1/20 0.46
OPRM1 P35372 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BTK Q06187 1/20 0.45
TNF P01375 1/20 0.45
IL1B P01584 1/20 0.45
TBXA2R P21731 1/20 0.45
IKZF1 Q13422 1/20 0.45

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
SCHEMBL31076953 1.00 CRBN (0.57) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL31338075 0.90 CRBN (0.57) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL24299483 0.87 CRBN (0.62) CRBNDDB1BTK
SCHEMBL31076678 0.85 IKZF2 (0.57) CRBNIKZF3IKZF1
SCHEMBL25647405 0.85 IKZF2 (0.57) CRBNIKZF3IKZF1
SCHEMBL31338339 0.85 CRBN (0.64) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL25227389 0.85 CRBN (0.63) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL31338213 0.85 CRBN (0.56) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL31338148 0.84 CRBN (0.62) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL31338164 0.84 CRBN (0.60) CRBNDDB1IKZF3ALDH1A1CHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116239566-A E3 ubiquitin ligase ligand compound, protein degradation agent developed based on ligand compound and application thereof 标新生物医药科技(上海)有限公司 2023-06-09 CN claimed
WO-2023104155-A1 LIGAND COMPOUNDS FOR E3 UBIQUITIN LIGASE, PROTEIN DEGRADERS DEVELOPED ON BASIS OF LIGAND COMPOUNDS, AND USES THEREOF 标新生物医药科技(上海)有限公司 2023-06-15 WO disclosed