SCHEMBL13330301

SCHEMBL13330301

O=C(O)c1cccc(N=Nc2ccc(Nc3nc(NCCNc4nc(Nc5ccc(N=Nc6cccc(C(=O)O)c6)cc5OCCSOOO)nc(Nc5ccc(N=Nc6cccc(C(=O)O)c6)cc5OCCS(=O)(=O)O)n4)nc(Nc4ccc(N=Nc5cccc(C(=O)O)c5)cc4OCCS(=O)(=O)O)n3)c(OCCSOOO)c2)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ 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
SCHEMBL13330303 0.94 RHOA (0.30) RHOA
SCHEMBL13330304 0.93 — —
SCHEMBL13330311 0.92 CSNK2A1 (0.31) RHOA
SCHEMBL13330310 0.92 CSNK2A1 (0.31) RHOA
SCHEMBL13330323 0.91 — —
SCHEMBL13330312 0.90 KMT2A (0.38) —
SCHEMBL13330308 0.88 — —
SCHEMBL13330305 0.87 — —
SCHEMBL13330336 0.86 — —
SCHEMBL12620228 0.86 — —

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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