SCHEMBL31306467

SCHEMBL31306467

Nc1cc(N2CCN(CCNCC3C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC34)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.50
▸ DDB1 Q16531 8/20 0.46
▸ EGFR P00533 4/20 0.40
▸ AR P10275 2/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ ERBB3 P21860 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.38
▸ ERBB2 P04626 1/20 0.38
▸ HPGDS O60760 1/20 0.38
▸ TNF P01375 1/20 0.38
▸ IL1B P01584 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ IKZF1 Q13422 1/20 0.38
▸ IKZF3 Q9UKT9 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL31306511 0.93 CRBN (0.51) CRBNDDB1EGFRARHTR7
SCHEMBL31306485 0.91 CRBN (0.48) CRBNDDB1EGFRARHTR7
SCHEMBL31306531 0.91 CRBN (0.52) CRBNDDB1EGFRARHTR7
SCHEMBL31306479 0.89 CRBN (0.55) CRBNDDB1ARHTR7MAPT
SCHEMBL31306510 0.87 CRBN (0.51) CRBNDDB1EGFRARHTR7
SCHEMBL31306515 0.85 CRBN (0.57) CRBNDDB1ARTNFIL1B
SCHEMBL31306487 0.84 CRBN (0.49) CRBNDDB1ARHTR7MAPT
SCHEMBL31306501 0.84 CRBN (0.56) CRBNDDB1EGFRARHTR7
SCHEMBL31306508 0.83 CRBN (0.54) CRBNDDB1EGFRARHTR7
SCHEMBL31306538 0.82 CRBN (0.58) CRBNDDB1EGFRARTNF

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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