SCHEMBL13330306

SCHEMBL13330306

O=C(O)c1ccccc1N=Nc1ccc(Nc2nc(NCCNc3nc(Nc4ccc(N=Nc5ccccc5C(=O)O)cc4OCCCSOOO)nc(Nc4ccc(N=Nc5ccccc5C(=O)O)cc4OCCCS(=O)(=O)O)n3)nc(Nc3ccc(N=Nc4ccccc4C(=O)O)cc3OCCCS(=O)(=O)O)n2)c(OCCCSOOO)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ IDE P14735 1/20 0.31
▸ MAPK8 P45983 1/20 0.30

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
SCHEMBL13330309 0.92 — —
SCHEMBL13330328 0.92 MEN1 (0.32) MEN1GAAMAPTKMT2ANPSR1
SCHEMBL13330319 0.90 MEN1 (0.34) MEN1GAAMAPTKMT2ANPSR1
SCHEMBL13330305 0.90 — —
SCHEMBL13330303 0.89 RHOA (0.30) —
SCHEMBL13330308 0.89 — —
SCHEMBL13330310 0.87 CSNK2A1 (0.31) —
SCHEMBL13330311 0.87 CSNK2A1 (0.31) —
SCHEMBL13330304 0.87 — —
SCHEMBL12620264 0.87 — —

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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