SCHEMBL30459134

SCHEMBL30459134

O=C1CCC(N2Cc3cccc(CN4C5CNCC4C5)c3C2)C(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 19/20 0.56
▸ DDB1 Q16531 9/20 0.39
▸ IKZF3 Q9UKT9 4/20 0.38
▸ IKZF1 Q13422 3/20 0.38
▸ TNF P01375 2/20 0.38
▸ IL1B P01584 2/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TBXA2R P21731 1/20 0.35

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
SCHEMBL30459533 0.95 CRBN (0.57) CRBNDDB1IKZF3IKZF1TNF
SCHEMBL30459375 0.86 CRBN (0.54) CRBNDDB1IKZF3IKZF1TNF
SCHEMBL30352181 0.83 CRBN (0.58) CRBNDDB1IKZF3IKZF1TNF
SCHEMBL30459121 0.83 CRBN (0.53) CRBNDDB1IKZF3IKZF1TNF
SCHEMBL19278144 0.82 CRBN (0.67) CRBNDDB1IKZF3IKZF1TNF
SCHEMBL25423114 0.81 CRBN (0.65) CRBNDDB1IKZF3IKZF1TNF
SCHEMBL30804711 0.81 CRBN (0.65) CRBNDDB1IKZF3IKZF1TNF
SCHEMBL30459260 0.81 CRBN (0.53) CRBNDDB1IKZF3IKZF1TNF
SCHEMBL25647041 0.80 CRBN (0.61) CRBNDDB1IKZF3IKZF1TNF
SCHEMBL30460136 0.80 CRBN (0.57) CRBNDDB1IKZF3IKZF1TNF

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-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 claimed
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