SCHEMBL23784698

SCHEMBL23784698

O=NCc1cc(O)cc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.48
▸ BACE1 P56817 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.40
▸ TYR P14679 1/20 0.39
▸ PTGS2 P35354 3/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CA12 O43570 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ CA5A P35218 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ CBS P35520 1/20 0.34

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
SCHEMBL18292827 0.95 ACHE (0.42) ACHEBACE1LTA4HHSP90AB1TYR
SCHEMBL19826377 0.84 ACHE (0.34) ACHELTA4HHSP90AB1
SCHEMBL17366364 0.80 — —
SCHEMBL24265373 0.77 SELL (0.37) CA12CA2CA9CA14CA5A
SCHEMBL12630761 0.74 TRPA1 (0.52) BACE1TYRCYP3A4CA12CA2
SCHEMBL17506714 0.74 ACHE (0.42) ACHE
SCHEMBL3932104 0.69 ACHE (0.55) ACHEBACE1LTA4HHSP90AB1TYR
SCHEMBL12630762 0.69 CA1 (0.56) BACE1HSP90AB1PTGS2CYP3A4CA2
SCHEMBL24080830 0.68 PGK1 (0.43) ACHEALDH1A1LMNA
SCHEMBL22273431 0.68 ALDH1A1 (0.35) CYP3A4CA12CA2CA9CA14

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
EP-3460014-B1 AQUEOUS DISPERSION, PRODUCTION PROCESS THEREFOR, AND IMAGE FORMATION METHOD FUJIFILM CORP (JP) 2021-09-08 — — EP disclosed
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