SCHEMBL13330311

SCHEMBL13330311

O=C(O)c1cccc(N=Nc2ccc(Nc3nc(NCCCCCCNc4nc(Nc5ccc(N=Nc6cccc(C(=O)O)c6)cc5OCCCSOOO)nc(Nc5ccc(N=Nc6cccc(C(=O)O)c6)cc5OCCCS(=O)(=O)O)n4)nc(Nc4ccc(N=Nc5cccc(C(=O)O)c5)cc4OCCCS(=O)(=O)O)n3)c(OCCCSOOO)c2)c1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A1 P68400 3/20 0.31
▸ RHOA P61586 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
SCHEMBL13330310 1.00 CSNK2A1 (0.31) CSNK2A1RHOA
SCHEMBL13330303 0.98 RHOA (0.30) RHOA
SCHEMBL13330304 0.96 — —
SCHEMBL13330338 0.93 — —
SCHEMBL13330321 0.93 — —
SCHEMBL13330301 0.92 RHOA (0.30) RHOA
SCHEMBL13330308 0.92 — —
SCHEMBL13330336 0.92 — —
SCHEMBL12620264 0.92 — —
SCHEMBL13330305 0.92 — —

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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