SCHEMBL31306524

SCHEMBL31306524

Nc1cc(N2CCN(CC3CCN(CC4(F)CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.50
▸ DDB1 Q16531 5/20 0.47
▸ AR P10275 4/20 0.45
▸ PLK4 O00444 2/20 0.42
▸ BTK Q06187 3/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ IRAK3 Q9Y616 1/20 0.42
▸ CDK9 P50750 1/20 0.41
▸ EGFR P00533 2/20 0.41
▸ ALK Q9UM73 1/20 0.39

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
SCHEMBL31306534 0.95 CRBN (0.55) CRBNDDB1EGFR
SCHEMBL31306468 0.93 CRBN (0.48) CRBNDDB1ARPLK4BTK
SCHEMBL31306538 0.91 CRBN (0.58) CRBNDDB1ARPLK4BTK
SCHEMBL31306506 0.88 CRBN (0.55) CRBNDDB1ARPLK4BTK
SCHEMBL31306515 0.88 CRBN (0.57) CRBNDDB1ARPLK4BTK
SCHEMBL31306472 0.87 CRBN (0.52) CRBNDDB1AR
SCHEMBL31306480 0.87 CRBN (0.53) CRBNDDB1ARPLK4BTK
SCHEMBL31306478 0.86 CRBN (0.52) CRBNDDB1ARPLK4BTK
SCHEMBL31306505 0.84 CRBN (0.53) CRBNDDB1ARPLK4BTK
SCHEMBL31306501 0.84 CRBN (0.56) CRBNDDB1ARBTKIRAK1

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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