SCHEMBL28795334

SCHEMBL28795334

COc1cc(N2CCC3(CC2)CCN(C2CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC2)CC3)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.50
▸ DDB1 Q16531 10/20 0.46
▸ AR P10275 3/20 0.41
▸ MAPT P10636 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.37
▸ GSPT1 P15170 1/20 0.37

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
SCHEMBL29803014 1.00 CRBN (0.50) CRBNDDB1ARMAPTALDH1A1
SCHEMBL29803123 0.95 CRBN (0.46) CRBNDDB1AR
SCHEMBL28945672 0.95 CRBN (0.46) CRBNDDB1AR
SCHEMBL28795206 0.95 CRBN (0.54) CRBNDDB1ARMAPTCDK9
SCHEMBL29803111 0.94 CRBN (0.48) CRBNDDB1ARGSPT1
SCHEMBL28945689 0.94 CRBN (0.48) CRBNDDB1ARGSPT1
SCHEMBL28795191 0.94 CRBN (0.53) CRBNDDB1ARCDK9BRD9
SCHEMBL28795252 0.92 CRBN (0.49) CRBNDDB1ARGSPT1
SCHEMBL28795193 0.91 CRBN (0.49) CRBNDDB1ARCDK9
SCHEMBL29802996 0.90 CRBN (0.48) CRBNDDB1ARCDK9BRD9

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-114805303-A Molecule with double functions of degrading EGFR (epidermal growth factor receptor), composition and pharmaceutical application thereof 海思科医药集团股份有限公司 2022-07-29 — — CN disclosed
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