SCHEMBL12809705

SCHEMBL12809705

CN(C)c1nc(NCCN)nc(Nc2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 18/20 0.45
CA2 P00918 18/20 0.45
CA9 Q16790 18/20 0.45
CA12 O43570 11/20 0.40
CA14 Q9ULX7 4/20 0.35
CA5A P35218 2/20 0.34
CA5B Q9Y2D0 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL15836276 0.91 CA1 (0.45) CA1CA2CA9CA12CA14
SCHEMBL12589953 0.88 CA1 (0.39) CA1CA2CA9CA12
SCHEMBL15866074 0.88 CA1 (0.44) CA1CA2CA9CA12CA14
SCHEMBL15255510 0.87 CA9 (0.42) CA1CA2CA9CA12CA14
SCHEMBL12745398 0.87 CA1 (0.42) CA1CA2CA9CA12CA14
SCHEMBL12746219 0.87 CA1 (0.46) CA1CA2CA9CA12CA14
SCHEMBL14145912 0.87 CA1 (0.40) CA1CA2CA9CA12CA14
SCHEMBL11375192 0.86 CA9 (0.50) CA1CA2CA9CA12CA14
SCHEMBL14614511 0.86 CA1 (0.41) CA1CA2CA9CA12CA14
SCHEMBL15255509 0.85 RAB9A (0.48) CA1CA2CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8852293-B2 Compound having triazine side chain, coloring composition, inkjet ink, inkjet recording method, color filter, and color toner FUJIFILM CORPORATION (JP) 2014-10-07 US disclosed
US-8852293-B2 Compound having triazine side chain, coloring composition, inkjet ink, inkjet recording method, color filter, and color toner FUJIFILM CORPORATION (JP) 2014-10-07 US disclosed
US-20140170538-A1 NOVEL COMPOUND HAVING TRIAZINE SIDE CHAIN, COLORING COMPOSITION, INKJET INK, INKJET RECORDING METHOD, COLOR FILTER, AND COLOR TONER FUJIFILM CORPOARTION (JP) 2014-06-19 US disclosed
US-20140170538-A1 NOVEL COMPOUND HAVING TRIAZINE SIDE CHAIN, COLORING COMPOSITION, INKJET INK, INKJET RECORDING METHOD, COLOR FILTER, AND COLOR TONER FUJIFILM CORPOARTION (JP) 2014-06-19 US disclosed
US-8529685-B2 Azaphthalocyanines and their use in ink-jet printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2013-09-10 US disclosed
WO-2013064802-A1 AZAPHTHALOCYANINES FUJIFILM IMAGING COLORANTS LIMITED (GB) 2013-05-10 WO disclosed
EP-2376577-B1 AZAPHTHALOCYANINES AND THEIR USE IN INK-JET PRINTING FUJIFILM IMAGING COLORANTS LTD (GB) 2012-12-26 EP disclosed
EP-1920014-B1 PHTHALOCYANINES AND THEIR USE IN INK-JET PRINTING FUJIFILM IMAGING COLORANTS LTD (GB) 2011-03-16 EP disclosed
US-20090202798-A1 Phthalocyanines and Their Use in Ink-Jet Printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-08-13 US disclosed
WO-2007063269-A2 PHTHALOCYANINES AND THEIR USE IN INK-JET PRINTING FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-06-07 WO disclosed