SCHEMBL31306468

SCHEMBL31306468

Nc1cc(N2CCN(CC3CCN(CC4(F)CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.48
▸ DDB1 Q16531 6/20 0.41
▸ AR P10275 4/20 0.41
▸ PLK4 O00444 2/20 0.39
▸ IRAK1 P51617 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ IRAK3 Q9Y616 1/20 0.38
▸ IKZF3 Q9UKT9 2/20 0.38
▸ BTK Q06187 1/20 0.37
▸ ALK Q9UM73 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ CDK9 P50750 1/20 0.36

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
SCHEMBL31306472 0.95 CRBN (0.52) CRBNDDB1ARIKZF3HTR7
SCHEMBL31306524 0.93 CRBN (0.50) CRBNDDB1ARPLK4IRAK1
SCHEMBL31306505 0.93 CRBN (0.53) CRBNDDB1ARPLK4IRAK1
SCHEMBL31306474 0.89 CRBN (0.49) CRBNDDB1ARPLK4IRAK1
SCHEMBL31306481 0.89 CRBN (0.50) CRBNDDB1ARPLK4IKZF3
SCHEMBL31306519 0.88 CRBN (0.51) CRBNDDB1ARPLK4IKZF3
SCHEMBL31306534 0.88 CRBN (0.55) CRBNDDB1IKZF3HTR7
SCHEMBL31306502 0.87 CRBN (0.47) CRBNDDB1ARPLK4IRAK1
SCHEMBL31306493 0.86 CRBN (0.54) CRBNDDB1ARIRAK1IRAK4
SCHEMBL31306527 0.85 CRBN (0.53) CRBNDDB1ARIRAK1IRAK4

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-119019370-A Degradation agent targeting SIRT6 and/or GSPT1 and application thereof 深圳大学 2024-11-26 — — CN disclosed
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