SCHEMBL31306506

SCHEMBL31306506

Nc1cc(N2CCN(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.55
▸ DDB1 Q16531 5/20 0.52
▸ BTK Q06187 3/20 0.49
▸ AR P10275 4/20 0.47
▸ PLK4 O00444 2/20 0.46
▸ ALK Q9UM73 1/20 0.45
▸ CDK9 P50750 1/20 0.44
▸ EGFR P00533 2/20 0.43

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
SCHEMBL31306538 0.96 CRBN (0.58) CRBNDDB1BTKARPLK4
SCHEMBL31306515 0.95 CRBN (0.57) CRBNDDB1BTKARPLK4
SCHEMBL31306522 0.92 CRBN (0.52) CRBNDDB1BTKARPLK4
SCHEMBL31306480 0.92 CRBN (0.53) CRBNDDB1BTKARPLK4
SCHEMBL31306501 0.92 CRBN (0.56) CRBNDDB1BTKAREGFR
SCHEMBL31306478 0.91 CRBN (0.52) CRBNDDB1BTKARPLK4
SCHEMBL31306481 0.90 CRBN (0.50) CRBNDDB1BTKARPLK4
SCHEMBL31306479 0.89 CRBN (0.55) CRBNDDB1BTKARALK
SCHEMBL31306508 0.89 CRBN (0.54) CRBNDDB1AREGFR
SCHEMBL31306505 0.87 CRBN (0.53) CRBNDDB1BTKARPLK4

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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