SCHEMBL10877142

SCHEMBL10877142

COc1ccc(C(=O)c2c(CO[N+](=O)[O-])[nH]c(=O)n2C(C)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 5/20 0.37
▸ MAPK1 P28482 4/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TYMP P19971 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35

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
SCHEMBL10877149 0.91 TYMP (0.37) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL10877196 0.80 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL10883132 0.79 MAPT (0.36) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL10950769 0.78 PDE3B (0.43) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL10949638 0.74 MAPT (0.43) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL10879461 0.70 MAPT (0.38) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL10950776 0.69 PDE3B (0.45) MAPTMAPK1LMNAHPGDNPSR1
SCHEMBL10950412 0.68 ALDH1A1 (0.36) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL10875629 0.66 MAPT (0.45) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL11362408 0.66 LMNA (0.45) ALDH1A1MAPTMAPK1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4526981-A [1,2-Dihydro-4(5)-acyl-2-oxo-2H-imidazol-4(5)-yl] methyl nitrates MERRELL DOW PHARMACEUTICALS INC. (US) 1985-07-02 — — US claimed
EP-0065165-B1 5-OXYMETHYL-4-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-06-18 — — EP disclosed
US-4526981-A [1,2-Dihydro-4(5)-acyl-2-oxo-2H-imidazol-4(5)-yl] methyl nitrates MERRELL DOW PHARMACEUTICALS INC. (US) 1985-07-02 — — US disclosed
EP-0065165-A1 5-Oxymethyl-4-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-24 — — EP disclosed
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