SCHEMBL31306485

SCHEMBL31306485

Nc1cc(N2CCN(CCNCC3C4CN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC34)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 12/20 0.48
▸ DDB1 Q16531 9/20 0.40
▸ IKZF3 Q9UKT9 3/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.36
▸ TNF P01375 1/20 0.36
▸ IL1B P01584 1/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ IKZF1 Q13422 1/20 0.36
▸ AR P10275 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ RAF1 P04049 2/20 0.35
▸ RECQL P46063 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL31306487 0.93 CRBN (0.49) CRBNDDB1IKZF3HTR7MAPT
SCHEMBL31306467 0.91 CRBN (0.50) CRBNDDB1IKZF3HTR7MAPT
SCHEMBL31306495 0.90 CRBN (0.50) CRBNDDB1IKZF3HTR7MAPT
SCHEMBL31306513 0.88 CRBN (0.50) CRBNDDB1IKZF3HTR7MAPT
SCHEMBL31306519 0.86 CRBN (0.51) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31306511 0.84 CRBN (0.51) CRBNDDB1HTR7AREGFR
SCHEMBL31306493 0.84 CRBN (0.54) CRBNDDB1IKZF3HTR7MAPT
SCHEMBL31306531 0.84 CRBN (0.52) CRBNDDB1HTR7AREGFR
SCHEMBL31306527 0.83 CRBN (0.53) CRBNDDB1IKZF3HTR7MAPT
SCHEMBL31306505 0.83 CRBN (0.53) CRBNDDB1IKZF3TNFIL1B

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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