SCHEMBL31306501

SCHEMBL31306501

Nc1cc(N2CCN(CCC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 14/20 0.56
▸ DDB1 Q16531 6/20 0.51
▸ HTR7 P34969 1/20 0.47
▸ CCNC P24863 1/20 0.45
▸ CDK8 P49336 1/20 0.45
▸ IRAK1 P51617 1/20 0.45
▸ NTRK3 Q16288 1/20 0.45
▸ HASPIN Q8TF76 1/20 0.45
▸ CDK19 Q9BWU1 1/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ IRAK3 Q9Y616 1/20 0.45
▸ AR P10275 3/20 0.44
▸ HPGDS O60760 1/20 0.44
▸ IL2 P60568 1/20 0.43
▸ ITK Q08881 1/20 0.43
▸ EGFR P00533 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ BTK Q06187 1/20 0.42

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
SCHEMBL31306508 0.95 CRBN (0.54) CRBNDDB1HTR7CCNCCDK8
SCHEMBL31306510 0.93 CRBN (0.51) CRBNDDB1HTR7CCNCCDK8
SCHEMBL31306538 0.92 CRBN (0.58) CRBNDDB1IRAK1IRAK4IRAK3
SCHEMBL31306506 0.92 CRBN (0.55) CRBNDDB1AREGFRBTK
SCHEMBL31306493 0.91 CRBN (0.54) CRBNDDB1HTR7CCNCCDK8
SCHEMBL31306531 0.90 CRBN (0.52) CRBNDDB1HTR7CCNCCDK8
SCHEMBL31306515 0.88 CRBN (0.57) CRBNDDB1ARITKLMNA
SCHEMBL31306480 0.88 CRBN (0.53) CRBNDDB1CCNCCDK8IRAK1
SCHEMBL31306527 0.87 CRBN (0.53) CRBNDDB1HTR7CCNCCDK8
SCHEMBL31306511 0.87 CRBN (0.51) CRBNDDB1HTR7ARHPGDS

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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