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SCHEMBL13313341

SCHEMBL13313341

O=C(O)c1cc(N=Nc2ccc(Nc3nc(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 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 5/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ BRD4 O60885 1/20 0.31

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
SCHEMBL13313329 0.91 S1PR3 (0.31) S1PR3S1PR1LRRK2
SCHEMBL13313333 0.90 CA12 (0.36) S1PR3S1PR1
SCHEMBL13313338 0.83 RHOA (0.35) S1PR3S1PR1ALDH1A1MEN1MAPT
SCHEMBL13330308 0.83 — —
SCHEMBL12620264 0.83 — —
SCHEMBL14887272 0.81 KMT2A (0.43) ALDH1A1MEN1MAPTTHRBKMT2A
SCHEMBL13330318 0.81 HTT (0.32) MEN1MAPTKMT2A
SCHEMBL13313303 0.80 PTK2 (0.36) LRRK2BRD4
SCHEMBL13330305 0.77 — —
SCHEMBL13330332 0.77 — —

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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