SCHEMBL25346259

SCHEMBL25346259

O=C(O)C1CCOC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ SLC9A1 P19634 1/20 0.46
▸ LMNA P02545 3/20 0.45
▸ TP53 P04637 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL28376947 0.80 SLC9A1 (0.48) ALDH1A1SLC9A1LMNATP53KDM4E
SCHEMBL28380943 0.80 SLC9A1 (0.48) ALDH1A1SLC9A1LMNATP53KDM4E
SCHEMBL31406306 0.79 SLC9A1 (0.59) ALDH1A1SLC9A1LMNATP53KDM4E
SCHEMBL22492109 0.77 AKR1C3 (0.46) ALDH1A1LMNAGAATSHRL3MBTL1
SCHEMBL22492107 0.77 AKR1C3 (0.46) ALDH1A1LMNAGAATSHRL3MBTL1
SCHEMBL7002979 0.77 SLC9A1 (0.67) ALDH1A1SLC9A1LMNATP53KDM4E
SCHEMBL5775091 0.77 SLC9A1 (0.67) ALDH1A1SLC9A1LMNATP53KDM4E
SCHEMBL6902353 0.77 SLC9A1 (0.67) ALDH1A1SLC9A1LMNATP53KDM4E
SCHEMBL25350693 0.77 LMNA (0.46) ALDH1A1SLC9A1LMNAKDM4EGAA
SCHEMBL10843264 0.76 TP53 (0.50) ALDH1A1SLC9A1LMNATP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023151642-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
WO-2023151641-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
WO-2023151640-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-08-17 — — WO disclosed
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