SCHEMBL31306495

SCHEMBL31306495

Nc1cc(N2CCN(CC3C4CN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC34)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 14/20 0.50
▸ DDB1 Q16531 9/20 0.44
▸ IKZF3 Q9UKT9 3/20 0.40
▸ TNF P01375 1/20 0.39
▸ IL1B P01584 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ IKZF1 Q13422 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ AR P10275 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SIRT6 Q8N6T7 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALK Q9UM73 1/20 0.36

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
SCHEMBL31306519 0.93 CRBN (0.51) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31306479 0.90 CRBN (0.55) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31306481 0.90 CRBN (0.50) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31306485 0.90 CRBN (0.48) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31306505 0.90 CRBN (0.53) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31306502 0.89 CRBN (0.47) CRBNDDB1ARALK
SCHEMBL31306474 0.86 CRBN (0.49) CRBNDDB1IKZF3ARALK
SCHEMBL31306493 0.86 CRBN (0.54) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31306472 0.86 CRBN (0.52) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31306487 0.86 CRBN (0.49) 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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