SCHEMBL31306480

SCHEMBL31306480

Nc1cc(N2CCN(CC3CCN(C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)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 3/20 0.50
▸ BTK Q06187 3/20 0.47
▸ IRAK1 P51617 2/20 0.47
▸ IRAK4 Q9NWZ3 2/20 0.47
▸ IRAK3 Q9Y616 2/20 0.47
▸ AR P10275 6/20 0.47
▸ CDK9 P50750 1/20 0.45
▸ PLK4 O00444 2/20 0.45
▸ EGFR P00533 1/20 0.42
▸ CCNC P24863 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ HASPIN Q8TF76 1/20 0.41
▸ CDK19 Q9BWU1 1/20 0.41
▸ ESR1 P03372 1/20 0.41

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
SCHEMBL31306538 0.95 CRBN (0.58) CRBNDDB1BTKIRAK1IRAK4
SCHEMBL31306478 0.95 CRBN (0.52) CRBNDDB1BTKIRAK1IRAK4
SCHEMBL31306506 0.92 CRBN (0.55) CRBNDDB1BTKARCDK9
SCHEMBL31306474 0.92 CRBN (0.49) CRBNDDB1BTKIRAK1IRAK4
SCHEMBL31306515 0.90 CRBN (0.57) CRBNDDB1BTKARPLK4
SCHEMBL31306501 0.88 CRBN (0.56) CRBNDDB1BTKIRAK1IRAK4
SCHEMBL31306502 0.87 CRBN (0.47) CRBNDDB1BTKIRAK1IRAK4
SCHEMBL31306524 0.87 CRBN (0.50) CRBNDDB1BTKIRAK1IRAK4
SCHEMBL30984679 0.87 CRBN (0.58) CRBNDDB1BTKIRAK1IRAK4
SCHEMBL31306508 0.87 CRBN (0.54) CRBNDDB1IRAK1IRAK4IRAK3

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
Send feedback