SCHEMBL31306511

SCHEMBL31306511

Nc1cc(N2CCN(CCNCC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.51
▸ DDB1 Q16531 6/20 0.47
▸ AR P10275 3/20 0.44
▸ EGFR P00533 1/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ HPGDS O60760 2/20 0.40
▸ ITK Q08881 2/20 0.40
▸ BTK Q06187 2/20 0.40
▸ ALK Q9UM73 1/20 0.40

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
SCHEMBL31306531 0.95 CRBN (0.52) CRBNDDB1AREGFRHTR7
SCHEMBL31306467 0.93 CRBN (0.50) CRBNDDB1AREGFRHTR7
SCHEMBL31306487 0.91 CRBN (0.49) CRBNDDB1ARHTR7
SCHEMBL31306510 0.90 CRBN (0.51) CRBNDDB1AREGFRHTR7
SCHEMBL31306515 0.89 CRBN (0.57) CRBNDDB1ARITKBTK
SCHEMBL31306501 0.87 CRBN (0.56) CRBNDDB1AREGFRHTR7
SCHEMBL31306506 0.86 CRBN (0.55) CRBNDDB1AREGFRBTK
SCHEMBL31306508 0.85 CRBN (0.54) CRBNDDB1AREGFRHTR7
SCHEMBL31306538 0.85 CRBN (0.58) CRBNDDB1AREGFRBTK
SCHEMBL31306479 0.84 CRBN (0.55) CRBNDDB1ARHTR7BTK

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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