SCHEMBL31306531

SCHEMBL31306531

Nc1cc(N2CCN(CCNCC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 14/20 0.52
▸ DDB1 Q16531 4/20 0.47
▸ AR P10275 4/20 0.44
▸ CDK9 P50750 1/20 0.42
▸ EGFR P00533 3/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ ITK Q08881 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ IRAK1 P51617 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ HASPIN Q8TF76 1/20 0.41
▸ CDK19 Q9BWU1 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ IRAK3 Q9Y616 1/20 0.41
▸ BTK Q06187 2/20 0.40
▸ ERBB2 P04626 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
SCHEMBL31306511 0.95 CRBN (0.51) CRBNDDB1AREGFRHPGDS
SCHEMBL31306510 0.94 CRBN (0.51) CRBNDDB1ARCDK9EGFR
SCHEMBL31306467 0.91 CRBN (0.50) CRBNDDB1AREGFRHPGDS
SCHEMBL31306501 0.90 CRBN (0.56) CRBNDDB1AREGFRHPGDS
SCHEMBL31306508 0.89 CRBN (0.54) CRBNDDB1AREGFRHPGDS
SCHEMBL31306538 0.89 CRBN (0.58) CRBNDDB1ARCDK9EGFR
SCHEMBL31306487 0.88 CRBN (0.49) CRBNDDB1ARHTR7CCNC
SCHEMBL31306506 0.87 CRBN (0.55) CRBNDDB1ARCDK9EGFR
SCHEMBL31306515 0.85 CRBN (0.57) CRBNDDB1ARITKBTK
SCHEMBL31306480 0.85 CRBN (0.53) CRBNDDB1ARCDK9EGFR

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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