SCHEMBL31306493

SCHEMBL31306493

Nc1cc(N2CCN(CCC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.54
▸ HTR7 P34969 1/20 0.44
▸ DDB1 Q16531 7/20 0.44
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ IRAK1 P51617 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ HASPIN Q8TF76 1/20 0.41
▸ CDK19 Q9BWU1 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ IRAK3 Q9Y616 1/20 0.41
▸ IKZF3 Q9UKT9 3/20 0.40
▸ RAF1 P04049 2/20 0.40
▸ ESR1 P03372 3/20 0.40
▸ AR P10275 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.39
▸ TNF P01375 1/20 0.39
▸ IL1B P01584 1/20 0.39
▸ TBXA2R P21731 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
SCHEMBL31306527 0.96 CRBN (0.53) CRBNHTR7DDB1CCNCCDK8
SCHEMBL31306513 0.93 CRBN (0.50) CRBNHTR7DDB1CCNCCDK8
SCHEMBL31306505 0.93 CRBN (0.53) CRBNDDB1IRAK1IRAK4IRAK3
SCHEMBL31306501 0.91 CRBN (0.56) CRBNHTR7DDB1CCNCCDK8
SCHEMBL31306481 0.90 CRBN (0.50) CRBNDDB1IKZF3ARTNF
SCHEMBL31306474 0.89 CRBN (0.49) CRBNDDB1IRAK1IRAK4IRAK3
SCHEMBL31306519 0.88 CRBN (0.51) CRBNDDB1IKZF3ARTNF
SCHEMBL31306472 0.87 CRBN (0.52) CRBNHTR7DDB1IKZF3AR
SCHEMBL31306487 0.87 CRBN (0.49) CRBNHTR7DDB1CCNCCDK8
SCHEMBL31306508 0.87 CRBN (0.54) CRBNHTR7DDB1CCNCCDK8

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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