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Sugi Predict / Compounds / SCHEMBL28401593

SCHEMBL28401593

SCHEMBL28401593

Cc1c(COc2ccc(CNC(CO)C(=O)O)cc2[N+](=O)[O-])cccc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 20/20 1.00
▸ PDCD1 Q15116 18/20 1.00

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
SCHEMBL28401595 1.00 CD274 (1.00) CD274PDCD1
SCHEMBL28403368 0.93 CD274 (0.87) CD274PDCD1
SCHEMBL28398900 0.92 CD274 (1.00) CD274PDCD1
SCHEMBL28405145 0.90 CD274 (1.00) CD274PDCD1
SCHEMBL28403407 0.90 CD274 (1.00) CD274PDCD1
SCHEMBL28398069 0.86 CD274 (0.89) CD274PDCD1
SCHEMBL28888859 0.85 CD274 (1.00) CD274PDCD1
SCHEMBL28393671 0.85 CD274 (1.00) CD274PDCD1
SCHEMBL28403358 0.85 CD274 (1.00) CD274PDCD1
SCHEMBL28393742 0.84 CD274 (1.00) CD274PDCD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111187172-B Nitrophenyl ether compound, preparation method thereof, pharmaceutical composition and application 中国药科大学 2021-10-29 — — CN disclosed
CN-111187172-A Nitrophenyl ether compound, preparation method thereof, pharmaceutical composition and application 中国药科大学 2020-05-22 — — CN disclosed