SCHEMBL31306474

SCHEMBL31306474

Nc1cc(N2CCN(CC3CCN(C4CCN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.49
▸ AR P10275 4/20 0.43
▸ PLK4 O00444 3/20 0.43
▸ DDB1 Q16531 5/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ IRAK3 Q9Y616 1/20 0.42
▸ BTK Q06187 1/20 0.41
▸ CDK9 P50750 1/20 0.39
▸ IKZF3 Q9UKT9 1/20 0.39
▸ ALK Q9UM73 1/20 0.38
▸ ESR1 P03372 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
SCHEMBL31306505 0.96 CRBN (0.53) CRBNARPLK4DDB1IRAK1
SCHEMBL31306502 0.95 CRBN (0.47) CRBNARPLK4DDB1IRAK1
SCHEMBL31306481 0.92 CRBN (0.50) CRBNARPLK4DDB1BTK
SCHEMBL31306480 0.92 CRBN (0.53) CRBNARPLK4DDB1IRAK1
SCHEMBL31306519 0.90 CRBN (0.51) CRBNARPLK4DDB1BTK
SCHEMBL31306493 0.89 CRBN (0.54) CRBNARDDB1IRAK1IRAK4
SCHEMBL31306468 0.89 CRBN (0.48) CRBNARPLK4DDB1IRAK1
SCHEMBL31306527 0.88 CRBN (0.53) CRBNARDDB1IRAK1IRAK4
SCHEMBL31306538 0.87 CRBN (0.58) CRBNARPLK4DDB1IRAK1
SCHEMBL31306478 0.87 CRBN (0.52) CRBNARPLK4DDB1IRAK1

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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