SCHEMBL31306538

SCHEMBL31306538

Nc1cc(N2CCN(CC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.58
▸ DDB1 Q16531 6/20 0.55
▸ AR P10275 4/20 0.50
▸ BTK Q06187 2/20 0.47
▸ CDK9 P50750 1/20 0.47
▸ PLK4 O00444 1/20 0.45
▸ EGFR P00533 1/20 0.45
▸ IRAK1 P51617 1/20 0.44
▸ IRAK4 Q9NWZ3 1/20 0.44
▸ IRAK3 Q9Y616 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ TNF P01375 1/20 0.43
▸ IL1B P01584 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ IKZF1 Q13422 1/20 0.43
▸ IKZF3 Q9UKT9 1/20 0.43

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
SCHEMBL31306506 0.96 CRBN (0.55) CRBNDDB1ARBTKCDK9
SCHEMBL31306480 0.95 CRBN (0.53) CRBNDDB1ARBTKCDK9
SCHEMBL31306515 0.94 CRBN (0.57) CRBNDDB1ARBTKPLK4
SCHEMBL31306478 0.93 CRBN (0.52) CRBNDDB1ARBTKCDK9
SCHEMBL31306501 0.92 CRBN (0.56) CRBNDDB1ARBTKEGFR
SCHEMBL31306524 0.91 CRBN (0.50) CRBNDDB1ARBTKCDK9
SCHEMBL31306505 0.91 CRBN (0.53) CRBNDDB1ARBTKCDK9
SCHEMBL31306508 0.91 CRBN (0.54) CRBNDDB1AREGFRIRAK1
SCHEMBL31306479 0.90 CRBN (0.55) CRBNDDB1ARBTKLMNA
SCHEMBL31306531 0.89 CRBN (0.52) CRBNDDB1ARBTKCDK9

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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