SCHEMBL31306515

SCHEMBL31306515

Nc1cc(N2CCN(CC3CN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)C3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.57
▸ DDB1 Q16531 6/20 0.54
▸ AR P10275 4/20 0.51
▸ ALK Q9UM73 2/20 0.48
▸ BTK Q06187 3/20 0.47
▸ PLK4 O00444 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ 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
▸ ITK Q08881 1/20 0.42

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 0.95 CRBN (0.55) CRBNDDB1ARALKBTK
SCHEMBL31306538 0.94 CRBN (0.58) CRBNDDB1ARBTKPLK4
SCHEMBL31306478 0.93 CRBN (0.52) CRBNDDB1ARALKBTK
SCHEMBL31306479 0.92 CRBN (0.55) CRBNDDB1ARALKBTK
SCHEMBL31306522 0.91 CRBN (0.52) CRBNDDB1ARALKBTK
SCHEMBL31306519 0.90 CRBN (0.51) CRBNDDB1ARALKBTK
SCHEMBL31306480 0.90 CRBN (0.53) CRBNDDB1ARBTKPLK4
SCHEMBL31306511 0.89 CRBN (0.51) CRBNDDB1ARALKBTK
SCHEMBL31306501 0.88 CRBN (0.56) CRBNDDB1ARBTKLMNA
SCHEMBL31306524 0.88 CRBN (0.50) CRBNDDB1ARALKBTK

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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