SCHEMBL31306510

SCHEMBL31306510

Nc1cc(N2CCN(CCNCCC3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.51
▸ DDB1 Q16531 6/20 0.47
▸ AR P10275 4/20 0.42
▸ HTR7 P34969 1/20 0.42
▸ EGFR P00533 3/20 0.42
▸ CCNC P24863 1/20 0.42
▸ CDK8 P49336 1/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ NTRK3 Q16288 1/20 0.42
▸ HASPIN Q8TF76 1/20 0.42
▸ CDK19 Q9BWU1 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ IRAK3 Q9Y616 1/20 0.42
▸ HPGDS O60760 1/20 0.42
▸ ERBB2 P04626 1/20 0.40
▸ IL2 P60568 1/20 0.40
▸ ITK Q08881 1/20 0.40
▸ CDK9 P50750 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
SCHEMBL31306531 0.94 CRBN (0.52) CRBNDDB1ARHTR7EGFR
SCHEMBL31306501 0.93 CRBN (0.56) CRBNDDB1ARHTR7EGFR
SCHEMBL31306513 0.92 CRBN (0.50) CRBNDDB1ARHTR7EGFR
SCHEMBL31306508 0.91 CRBN (0.54) CRBNDDB1ARHTR7EGFR
SCHEMBL31306511 0.90 CRBN (0.51) CRBNDDB1ARHTR7EGFR
SCHEMBL31306538 0.88 CRBN (0.58) CRBNDDB1AREGFRIRAK1
SCHEMBL31306467 0.87 CRBN (0.50) CRBNDDB1ARHTR7EGFR
SCHEMBL31306506 0.86 CRBN (0.55) CRBNDDB1AREGFRCDK9
SCHEMBL31306515 0.84 CRBN (0.57) CRBNDDB1ARITK
SCHEMBL31306493 0.84 CRBN (0.54) CRBNDDB1ARHTR7CCNC

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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