SCHEMBL10052073

SCHEMBL10052073

[C-]#[N+]c1c(C)nn(-c2cc(C(=O)O)cc(C(=O)O)c2)c1N=Nc1c(C)nn(-c2nc(O)nc(-n3nc(C)c(N=Nc4c(C#N)c(C)nn4-c4cc(C(=O)O)cc(C(=O)O)c4)c3N)n2)c1N

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL12552946 0.93 NPC1 (0.34) NPC1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL58803 0.93 MAPT (0.39) NPC1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL1612363 0.92 MAPT (0.38) NPC1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL12998748 0.89 SMN1; SMN2 (0.30) NPC1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL13159219 0.89 NPC1 (0.33) NPC1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL10139524 0.88 MAPT (0.35) NPC1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL13762790 0.88 MAPT (0.36) NPC1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL10194298 0.88 MAPT (0.46) NPC1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL12552944 0.85 MAPT (0.38) NPC1MAPTRAB9ASMN1; SMN2TDP1
SCHEMBL12722119 0.85 RIPK2 (0.34) NPC1MAPTRAB9ASMN1; SMN2TDP1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372190-B2 Ink set, inkjet recording method and recorded material FUJIFILM CORPORATION (JP) 2013-02-12 US disclosed
US-8357235-B2 Inkjet ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2013-01-22 US disclosed
US-8114208-B2 Ink jet ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2012-02-14 US disclosed
US-8101011-B2 Mono- and diazo dyes including pyrazol-5-yl rings attached to the azo group; good shades (hues) in the primary colors; colorfastness; photostability; weatherproofing; heat resistance; waterproofing; oxidation/ozone resistance; chemical resistance; storage stability; printing;electrography; displays FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed
US-8083341-B2 Thermal ink-jet ink and ink cartridge using the ink CANON KABUSHIKI KAISHA (JP) 2011-12-27 US disclosed
US-20100302305-A1 INK SET, INKJET RECORDING METHOD AND RECORDED MATERIAL FUJIFILM CORPORATION (JP) 2010-12-02 US disclosed
US-20100242791-A1 INKJET INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100245512-A1 INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-30 US disclosed
US-20100231670-A1 SET FOR INK JET RECORDING, AND INK JET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-16 US disclosed
US-7758683-B2 Ink composition, ink set and recording method FUJIFILM CORPORATION (JP) 2010-07-20 US disclosed
US-20090274839-A1 INK JET INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-11-05 US disclosed
US-20090246378-A1 Ink composition, ink set, and image recording method FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-7566362-B2 Ink, ink jet recording method, ink cartridge, recording unit and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2009-07-28 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-7527683-B2 Ink for ink-jet recording, ink set, and ink-jet recording method FUJIFILM CORPORATION (JP) 2009-05-05 US disclosed
US-20090047430-A1 INK, INK JET RECORDING METHOD, INK CARTRIDGE, RECORDING UNIT AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2009-02-19 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
US-20080274283-A1 Coloring Matter, Ink, Ink, for Ink Jet, Ink Jet Recording Method, Color Toner, and Color Filter FUJIFILM CORPORATION (JP) 2008-11-06 US disclosed
US-20080151028-A1 THERMAL INK-JET INK AND INK CARTRIDGE USING THE INK CANON KABUSHIKI KAISHA (JP) 2008-06-26 US disclosed
US-20070109376-A1 Ink composition, ink set and recording method FUJIFILM CORPORATION 2007-05-17 US disclosed