SCHEMBL31306502

SCHEMBL31306502

Nc1cc(N2CCN(CC3CCN(C4CN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 12/20 0.47
▸ DDB1 Q16531 4/20 0.42
▸ IRAK1 P51617 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ IRAK3 Q9Y616 1/20 0.41
▸ AR P10275 6/20 0.41
▸ PLK4 O00444 3/20 0.40
▸ BTK Q06187 2/20 0.39
▸ CDK9 P50750 1/20 0.38
▸ ALK Q9UM73 1/20 0.38

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
SCHEMBL31306474 0.95 CRBN (0.49) CRBNDDB1IRAK1IRAK4IRAK3
SCHEMBL31306505 0.93 CRBN (0.53) CRBNDDB1IRAK1IRAK4IRAK3
SCHEMBL31306519 0.93 CRBN (0.51) CRBNDDB1ARPLK4BTK
SCHEMBL31306481 0.92 CRBN (0.50) CRBNDDB1ARPLK4BTK
SCHEMBL31306478 0.91 CRBN (0.52) CRBNDDB1IRAK1IRAK4IRAK3
SCHEMBL31306495 0.89 CRBN (0.50) CRBNDDB1ARALK
SCHEMBL31306468 0.87 CRBN (0.48) CRBNDDB1IRAK1IRAK4IRAK3
SCHEMBL31306480 0.87 CRBN (0.53) CRBNDDB1IRAK1IRAK4IRAK3
SCHEMBL31306493 0.86 CRBN (0.54) CRBNDDB1IRAK1IRAK4IRAK3
SCHEMBL31306538 0.86 CRBN (0.58) CRBNDDB1IRAK1IRAK4IRAK3

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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