SCHEMBL1754808

SCHEMBL1754808

NCCNc1nc(NCc2ccccc2)nc(Nc2cc(S(=O)(=O)O)ccc2S(=O)(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.43
CA9 Q16790 11/20 0.40
CA1 P00915 10/20 0.40
CA2 P00918 10/20 0.40
KCNH3 Q9ULD8 2/20 0.40
CA12 O43570 3/20 0.40
CA14 Q9ULX7 2/20 0.40
MAPT P10636 1/20 0.39
HTR6 P50406 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
HDAC1 Q13547 1/20 0.38
PDE5A O76074 1/20 0.37

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
SCHEMBL1754899 0.94 CA9 (0.44) CA9CA1CA2CA12CA14
SCHEMBL1754814 0.92 GBA1 (0.43) GBA1CA9CA1CA2KCNH3
SCHEMBL15836276 0.91 CA1 (0.45) CA9CA1CA2CA12CA14
SCHEMBL1754841 0.90 CA9 (0.41) CA9CA1CA2CA12CA14
SCHEMBL12746219 0.87 CA1 (0.46) GBA1CA9CA1CA2CA12
SCHEMBL12745398 0.87 CA1 (0.42) CA9CA1CA2CA12CA14
SCHEMBL15255510 0.87 CA9 (0.42) CA9CA1CA2CA12CA14
SCHEMBL1754846 0.87 FUT8 (0.41) GBA1CA9CA1CA2KCNH3
SCHEMBL1754897 0.86 PTGS2 (0.38) CA9CA1CA2CA12HDAC1
SCHEMBL11375192 0.86 CA9 (0.50) 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
US-9676951-B2 Ink-jet ink set SEIKO EPSON CORPORATION (JP) 2017-06-13 US disclosed
WO-2015020222-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL 日本化薬株式会社 (JP) 2015-02-12 WO disclosed
US-20140345494-A1 INK-JET INK SET SEIKO EPSON CORPORATION (JP) 2014-11-27 US disclosed
US-8876273-B2 Ink composition, ink jet recording method using the same and recorded material SEIKO EPSON CORPORATION (JP) 2014-11-04 US disclosed
US-8857965-B2 Ink compostion, recording method using the same and recorded material SEIKO EPSON CORPORATION (JP) 2014-10-14 US disclosed
US-8790458-B2 Ink set and droplet ejection apparatus using the ink set SEIKO EPSON CORPORATION (JP) 2014-07-29 US disclosed
US-8657433-B2 Porphyrazine coloring matter, ink composition, recording method, and colored object NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-02-25 US disclosed
US-20130002757-A1 INK SET AND DROPLET EJECTION APPARATUS USING THE INK SET SEIKO EPSON CORPORATION (JP) 2013-01-03 US disclosed
EP-2441806-A1 PORPHYRAZINE DYE, INK COMPOSITION, RECORDING METHOD, AND COLORED OBJECT Nippon Kayaku Kabushiki Kaisha (JP) 2012-04-18 EP disclosed