SCHEMBL25420240

SCHEMBL25420240

O=CC(=O)C1CCC(N2Cc3cc(CN4CCN(c5ccc(Cl)nn5)CC4)ccc3C2=O)CN1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 4/20 0.39
▸ TNK1 Q13470 3/20 0.39
▸ TNK2 Q07912 2/20 0.39
▸ PANK3 Q9H999 9/20 0.36
▸ VEGFA P15692 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GSPT1 P15170 1/20 0.32
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ IKZF3 Q9UKT9 1/20 0.32
▸ IKZF2 Q9UKS7 1/20 0.32

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
SCHEMBL25421495 0.83 VEGFA (0.39) PANK3VEGFAEGLN1LMNAHTT
SCHEMBL25422652 0.82 HTR2A (0.38) PARP1PARP2MEN1KMT2AGSPT1
SCHEMBL30458859 0.82 PARP1 (0.46) PARP1TNK1TNK2PANK3VEGFA
SCHEMBL25270702 0.81 CRBN (0.38) PARP1PARP2CRBNIKZF3IKZF2
SCHEMBL25422666 0.80 MAOA (0.35) PARP1PARP2GSPT1DDB1CRBN
SCHEMBL25422761 0.80 MAOA (0.35) PARP1PARP2GSPT1DDB1CRBN
SCHEMBL25421720 0.78 HTR2A (0.39) PARP1PARP2GSPT1DDB1CRBN
SCHEMBL25421860 0.78 HTR2C (0.39) PARP1GSPT1DDB1CRBNIKZF3
SCHEMBL25281394 0.77 MAOA (0.38) GSPT1DDB1CRBNIKZF3
SCHEMBL31076539 0.77 IKZF2 (0.55) GSPT1DDB1CRBNIKZF3IKZF2

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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