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SCHEMBL13313329

SCHEMBL13313329

O=C(O)c1cc(N=Nc2ccc(Nc3nc(NCCS(=O)(=O)O)nc(Nc4ccc(N=Nc5cc(C(=O)O)cc(C(=O)O)c5)cc4OCCCS(=O)(=O)O)n3)c(OCCCS(=O)(=O)O)c2)cc(C(=O)O)c1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 5/20 0.31
▸ S1PR1 P21453 2/20 0.31
▸ LRRK2 Q5S007 2/20 0.31
▸ GBA1 P04062 4/20 0.31
▸ KCNH3 Q9ULD8 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.30
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 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
SCHEMBL13313338 0.93 RHOA (0.35) S1PR3S1PR1CSNK2A1
SCHEMBL13313333 0.92 CA12 (0.36) S1PR3S1PR1CA12CA1CA2
SCHEMBL12620264 0.91 — —
SCHEMBL13313341 0.91 S1PR3 (0.32) S1PR3S1PR1LRRK2
SCHEMBL13330308 0.89 — —
SCHEMBL13330305 0.82 — —
SCHEMBL13330311 0.82 CSNK2A1 (0.31) CSNK2A1
SCHEMBL13330303 0.82 RHOA (0.30) —
SCHEMBL13330310 0.82 CSNK2A1 (0.31) CSNK2A1
SCHEMBL13330332 0.82 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7740696-B2 Water-soluble azo compound, ink composition, and colored article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-06-22 — — US disclosed
US-20090117341-A1 Water-Soluble Azo Compound, Ink Composition, and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-07 — — US disclosed
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