SCHEMBL13012829

SCHEMBL13012829

NCCNc1nc(NCCS(=O)(=O)O)nc(Nc2ccc(S(=O)(=O)O)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 16/20 0.57
CA1 P00915 15/20 0.57
CA2 P00918 15/20 0.57
CA12 O43570 10/20 0.57
CA14 Q9ULX7 8/20 0.52
CA5A P35218 3/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA7 P43166 2/20 0.50
CA5B Q9Y2D0 1/20 0.50
CA3 P07451 1/20 0.50
CA13 Q8N1Q1 1/20 0.42
KCNH3 Q9ULD8 2/20 0.40
RECQL P46063 1/20 0.40
MCL1 Q07820 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL15836255 0.93 CA9 (0.64) CA9CA1CA2CA12CA14
SCHEMBL10273544 0.90 CA9 (0.52) CA9CA1CA2CA12CA14
SCHEMBL14817386 0.90 CA9 (0.52) CA9CA1CA2CA12CA14
SCHEMBL13012853 0.88 CA1 (0.64) CA9CA1CA2CA12CA14
SCHEMBL15984417 0.87 CA1 (0.66) CA9CA1CA2CA12CA14
SCHEMBL14817402 0.87 CA1 (0.52) CA9CA1CA2CA12CA14
SCHEMBL10169008 0.87 CA1 (0.52) CA9CA1CA2CA12CA14
SCHEMBL1754842 0.87 CA9 (0.57) CA9CA1CA2CA12CA14
SCHEMBL12198864 0.86 CA9 (0.56) CA9CA1CA2CA12CA14
SCHEMBL13012820 0.85 CA1 (0.44) CA9CA1CA2CA12CA14

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
EP-2441806-B1 PORPHYRAZINE COLORING MATTER, INK COMPOSITION, RECORDING METHOD, AND COLORED OBJECT NIPPON KAYAKU KK (JP) 2017-09-06 EP disclosed
EP-2778201-B1 COLOURED COMPOSITION AND INK FOR INKJET RECORDING FUJIFILM CORP (JP) 2016-04-06 EP disclosed
EP-2420538-B1 PORPHYRAZINE DYE, INK COMPOSITION CONTAINING SAME, AND COLORED BODY NIPPON KAYAKU KK (JP) 2015-04-22 EP disclosed
EP-2778201-A1 COLOURED COMPOSITION AND INK FOR INKJET RECORDING FUJIFILM Corporation (JP) 2014-09-17 EP disclosed
US-8657433-B2 Porphyrazine coloring matter, ink composition, recording method, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-02-25 US disclosed
EP-2128202-B1 NOVEL PORPHYRAZINE DYE, INK, INK SET, AND COLORED MATERIAL NIPPON KAYAKU KK (JP) 2011-12-14 EP disclosed
US-7854797-B2 Porphyrazine coloring matter, ink, ink set, and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-21 US disclosed
US-7854797-B2 Porphyrazine coloring matter, ink, ink set, and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-12-21 US disclosed
US-20100112218-A1 NOVEL PORPHYRAZINE COLORING MATTER, INK, INK SET, AND COLORED PRODUCT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-05-06 US disclosed
US-20100112218-A1 NOVEL PORPHYRAZINE COLORING MATTER, INK, INK SET, AND COLORED PRODUCT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-05-06 US disclosed