SCHEMBL31306505

SCHEMBL31306505

Nc1cc(N2CCN(CC3CCN(c4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.53
▸ DDB1 Q16531 7/20 0.46
▸ AR P10275 4/20 0.46
▸ PLK4 O00444 1/20 0.42
▸ IKZF3 Q9UKT9 3/20 0.41
▸ BTK Q06187 1/20 0.41
▸ CDK9 P50750 1/20 0.40
▸ TNF P01375 1/20 0.40
▸ IL1B P01584 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ IKZF1 Q13422 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ IRAK1 P51617 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ IRAK3 Q9Y616 1/20 0.40
▸ 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
SCHEMBL31306474 0.96 CRBN (0.49) CRBNDDB1ARPLK4IKZF3
SCHEMBL31306481 0.96 CRBN (0.50) CRBNDDB1ARPLK4IKZF3
SCHEMBL31306519 0.94 CRBN (0.51) CRBNDDB1ARPLK4IKZF3
SCHEMBL31306502 0.93 CRBN (0.47) CRBNDDB1ARPLK4BTK
SCHEMBL31306493 0.93 CRBN (0.54) CRBNDDB1ARIKZF3TNF
SCHEMBL31306468 0.93 CRBN (0.48) CRBNDDB1ARPLK4IKZF3
SCHEMBL31306527 0.92 CRBN (0.53) CRBNDDB1ARIKZF3TNF
SCHEMBL31306538 0.91 CRBN (0.58) CRBNDDB1ARPLK4IKZF3
SCHEMBL31306495 0.90 CRBN (0.50) CRBNDDB1ARIKZF3TNF
SCHEMBL31306472 0.88 CRBN (0.52) CRBNDDB1ARIKZF3TNF

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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