SCHEMBL60165

SCHEMBL60165

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(OS(=O)O)cc(S(=O)(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.32
GLA P06280 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL58834 0.92 PTGS2 (0.34) PTGS1PTGS2MAPTMAPK1MEN1
SCHEMBL12552924 0.85 MAPT (0.41) PTGS1PTGS2MAPTMAPK1MEN1
SCHEMBL10052058 0.83 PTGS1 (0.31) PTGS1PTGS2
SCHEMBL15233467 0.82 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL12552920 0.80 MAPT (0.39) PTGS1PTGS2MAPTMAPK1MEN1
SCHEMBL15233464 0.80 PTGS1 (0.37) PTGS1PTGS2MAPTSMN1; SMN2TDP1
SCHEMBL1611699 0.80 MAPT (0.37) PTGS1PTGS2MAPTMAPK1MEN1
SCHEMBL10194391 0.80 MAPT (0.37) PTGS1PTGS2MAPTMAPK1MEN1
SCHEMBL13762789 0.79
SCHEMBL10139515 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252102-B2 Water-based black ink for ink-jet recording, ink cartridge, and ink-jet recording apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2012-08-28 US disclosed
US-8177898-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) 2012-05-15 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-20100101450-A1 Water-Based Black Ink for Ink-Jet Recording, Ink Cartridge, and Ink-Jet Recording Apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2010-04-29 US disclosed
US-20090165672-A1 Water-Based Ink for Ink-Jet Recording, Ink Cartridge and Ink-Jet Recording Apparatus BROTHER KOGYO KABUSHIKI KAISHA (JP) 2009-07-02 US disclosed
US-20090167830-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) 2009-07-02 US disclosed