SCHEMBL13330328

SCHEMBL13330328

O=C(O)c1ccccc1N=Nc1ccc(Nc2nc(NCCCCC(Nc3nc(Nc4ccc(N=Nc5ccccc5C(=O)O)cc4OCCCSOOO)nc(Nc4ccc(N=Nc5ccccc5C(=O)O)cc4OCCCS(=O)(=O)O)n3)C(=O)O)nc(Nc3ccc(N=Nc4ccccc4C(=O)O)cc3OCCCS(=O)(=O)O)n2)c(OCCCSOOO)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL13330327 0.93 — —
SCHEMBL13330306 0.92 MEN1 (0.36) MEN1GAAMAPTKMT2ANPSR1
SCHEMBL13330324 0.91 — —
SCHEMBL13330321 0.91 — —
SCHEMBL13330332 0.90 — —
SCHEMBL13330338 0.89 — —
SCHEMBL13330322 0.89 — —
SCHEMBL13330336 0.87 — —
SCHEMBL13330323 0.86 — —
SCHEMBL13330309 0.84 — —

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
US-20100118067-A1 WATER-SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION AND COLORED PRODUCT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-05-13 — — US disclosed
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