SCHEMBL13219290

SCHEMBL13219290

CC(Nc1nc(Nc2ccc(N=Nc3cccc(S(=O)(=O)O)c3)cc2)nc(Nc2ccc(N=Nc3cccc(S(=O)(=O)O)c3)cc2OCCCS(=O)(=O)O)n1)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHAT P28329 4/20 0.33
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ FUT8 Q9BYC5 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ CA12 O43570 1/20 0.30
▸ NPR3 P17342 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ APEX1 P27695 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
SCHEMBL13218688 0.98 CHAT (0.35) CHATENPP3ENPP1CA2CA9
SCHEMBL13218931 0.96 ENPP2 (0.34) CHATENPP3ENPP1CA2CA9
SCHEMBL13219165 0.94 FUT8 (0.41) CHATENPP3ENPP1FUT8KMT2A
SCHEMBL13218698 0.93 ENPP2 (0.38) CHATENPP3ENPP1FUT8GAA
SCHEMBL12330360 0.93 ALK (0.33) GAAMAPTMAPK1KMT2ATDP1
SCHEMBL13219168 0.92 ENPP2 (0.35) CHATENPP3ENPP1FUT8KMT2A
SCHEMBL13219167 0.92 ENPP2 (0.34) CHATENPP3ENPP1FUT8
SCHEMBL12580803 0.92 PHLPP2 (0.36) GAAMAPTMAPK1KMT2ATDP1
SCHEMBL13218942 0.92 PHLPP2 (0.34) GAAMAPTMAPK1KMT2ATDP1
SCHEMBL13219057 0.92 PHLPP2 (0.36) GAAMAPTMAPK1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7771525-B2 Water-soluble azo compound or salt thereof, ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-08-10 — — US disclosed
US-20100068475-A1 WATER-SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION AND COLORED PRODUCT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
US-7553358-B2 Ink jet ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2009-06-30 — — US disclosed
US-20080274285-A1 INK JET INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2008-11-06 — — US disclosed
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