SCHEMBL31306534

SCHEMBL31306534

Nc1cc(N2CCN(CC3(F)CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 14/20 0.55
▸ DDB1 Q16531 11/20 0.50
▸ LMNA P02545 1/20 0.42
▸ IKZF3 Q9UKT9 3/20 0.42
▸ TNF P01375 1/20 0.42
▸ IL1B P01584 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ IKZF1 Q13422 1/20 0.42
▸ HTR7 P34969 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SIRT6 Q8N6T7 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ ERBB3 P21860 1/20 0.40

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
SCHEMBL31306524 0.95 CRBN (0.50) CRBNDDB1EGFR
SCHEMBL31306472 0.92 CRBN (0.52) CRBNDDB1LMNAIKZF3TNF
SCHEMBL31306468 0.88 CRBN (0.48) CRBNDDB1IKZF3HTR7
SCHEMBL31306538 0.87 CRBN (0.58) CRBNDDB1LMNAIKZF3TNF
SCHEMBL31306515 0.86 CRBN (0.57) CRBNDDB1LMNAIKZF3TNF
SCHEMBL31306501 0.85 CRBN (0.56) CRBNDDB1LMNAIKZF3TNF
SCHEMBL31306479 0.85 CRBN (0.55) CRBNDDB1LMNAIKZF3TNF
SCHEMBL31306506 0.85 CRBN (0.55) CRBNDDB1EGFR
SCHEMBL31306508 0.84 CRBN (0.54) CRBNDDB1LMNAIKZF3TNF
SCHEMBL31306480 0.83 CRBN (0.53) CRBNDDB1EGFR

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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