SCHEMBL58834

SCHEMBL58834

Cc1nn(-c2nc(O)nc(-n3nc(C)c(N=Nc4c(C#N)cnn4-c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c4)c3N)n2)c(N)c1N=Nc1c(C#N)cnn1-c1cc(S(=O)(=O)O)cc(S(=O)(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.34
PTGS1 P23219 6/20 0.34
MAPT P10636 5/20 0.34
MAPK1 P28482 3/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 4/20 0.33
TDP1 Q9NUW8 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
GLA P06280 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12552924 0.92 MAPT (0.41) PTGS2PTGS1MAPTMAPK1GAA
SCHEMBL60165 0.92 PTGS1 (0.34) PTGS2PTGS1MAPTMAPK1GAA
SCHEMBL15233467 0.90 PTGS1 (0.33) PTGS2PTGS1
SCHEMBL10052058 0.89 PTGS1 (0.31) PTGS2PTGS1
SCHEMBL12552920 0.86 MAPT (0.39) PTGS2PTGS1MAPTMAPK1GAA
SCHEMBL15233464 0.86 PTGS1 (0.37) PTGS2PTGS1MAPTTDP1SMN1; SMN2
SCHEMBL1611699 0.85 MAPT (0.37) PTGS2PTGS1MAPTMAPK1GAA
SCHEMBL10194391 0.85 MAPT (0.37) PTGS2PTGS1MAPTMAPK1GAA
SCHEMBL58810 0.85 XDH (0.41) MAPTMAPK1KMT2ATDP1SMN1; SMN2
SCHEMBL13762789 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315686-B2 Water-based ink for ink-jet recording, water-based ink set for ink-jet recording, ink cartridge, and ink-jet recording method BROTHER KOGYO KABUSHIKI KAISHA (JP) 2016-04-19 US disclosed
US-9206326-B2 Ink composition, inkjet recording ink, and inkjet recording method FUJIFILM CORPORATION (JP) 2015-12-08 US disclosed
US-9056997-B2 Ink-jet recording apparatus, ink-jet recording method, recorded matter and composite black BROTHER KOGYO KABUSHIKI KAISHA (JP) 2015-06-16 US disclosed
US-9033483-B2 Water-based ink set for ink-jet recording, water-based ink, and ink-jet recording method BROTHER KOGYO KABUSHIKI KAISHA (JP) 2015-05-19 US disclosed
US-20150116392-A1 Ink-Jet Recording Apparatus, Ink-Jet Recording Method, Recorded Matter and Composite Black BROTHER KOGYO KABUSHIKI KAISHA (JP) 2015-04-30 US disclosed
US-20150062265-A1 INK COMPOSITION, INKJET RECORDING INK, AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2015-03-05 US disclosed
US-8864297-B2 Water-based ink set for ink-jet recording, ink-jet recording method and ink-jet recording apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2014-10-21 US disclosed
US-20140292901-A1 Water-Based Ink for Ink-Jet Recording, Water-Based Ink Set for Ink-Jet Recording, Ink Cartridge, and Ink-Jet Recording Method BROTHER KOGYO KABUSHIKI KAISHA (JP) 2014-10-02 US disclosed
US-8808440-B2 Ink composition, ink for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2014-08-19 US disclosed
US-8523990-B2 Ink composition, inkjet recording ink composition, ink set, ink cartridge, inkjet recording method and recorded matter FUJIFILM CORPORATION (JP) 2013-09-03 US disclosed
US-20130182054-A1 Water-Based Ink Set For Ink-Jet Recording, Ink-Jet Recording Method and Ink-Jet Recording Apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2013-07-18 US disclosed
US-8460449-B2 Water-based ink set for ink jet recording, ink cartridge, and ink-jet recording apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2013-06-11 US disclosed
US-20130083145-A1 Water-Based Ink Set for Ink-Jet Recording, Water-Based Ink, and Ink-Jet Recording Method BROTHER KOGYO KABUSHIKI KAISHA (JP) 2013-04-04 US disclosed
US-8282719-B2 Water-based ink for ink-jet recording, ink cartridge, ink-jet recording apparatus and method of stabilizing water-based ink for ink-jet recording BROTHER KOGYO KABUSHIKI KAISHA (JP) 2012-10-09 US disclosed
US-8257479-B2 Water-based ink for ink-jet recording, ink cartridge, and ink-jet recording apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2012-09-04 US disclosed
US-20120192759-A1 Water-Based Ink for Ink-Jet Recording, Ink Cartridge, Ink-Jet Recording Apparatus and Method of Stabilizing Water-Based Ink for Ink-Jet Recording BROTHER KOGYO KABUSHIKI KAISHA (JP) 2012-08-02 US disclosed
US-20120081453-A1 WATER-BASED INK SET FOR INK-JET RECORDING, INK-JET RECORDING METHOD, AND INK-JET RECORDING APPARATUS BROTHER KOGYO KABUSHIKI KAISHA (JP) 2012-04-05 US disclosed
US-8128747-B2 Water-based ink for ink-jet recording, ink cartridge and ink-jet recording apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2012-03-06 US disclosed
US-20110128333-A1 Water-Based Ink Set for Ink Jet Recording, Ink Cartridge, and Ink-Jet Recording Apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2011-06-02 US disclosed
US-20100101452-A1 Water-Based Ink for Ink-Jet Recording, Ink Cartridge, and Ink-Jet Recording Apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2010-04-29 US disclosed