SCHEMBL13201698

SCHEMBL13201698

COc1cc(N=Nc2cccc(SOOO)c2)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
GAA P10253 5/20 0.40
MAPT P10636 4/20 0.40
APP P05067 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 3/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34

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
SCHEMBL14004214 1.00 MEN1 (0.41) MEN1KMT2AGAAMAPTAPP
SCHEMBL13324330 0.86 MEN1 (0.38) MEN1KMT2AGAAMAPTL3MBTL1
SCHEMBL14001596 0.81 MEN1 (0.40) MEN1KMT2AGAAMAPTL3MBTL1
SCHEMBL12432076 0.78 PTPN11 (0.38) PTPN11
SCHEMBL12432087 0.77 APP (0.38) MEN1KMT2AGAAMAPTAPP
SCHEMBL5720649 0.77 ALDH1A1 (0.59) MEN1KMT2AGAAMAPTAPP
SCHEMBL5720651 0.77 ALDH1A1 (0.59) MEN1KMT2AGAAMAPTAPP
SCHEMBL14004212 0.76 MEN1 (0.45) MEN1KMT2AMAPTL3MBTL1NPC1
SCHEMBL4537236 0.76 MEN1 (0.56) MEN1KMT2AGAAMAPTAPP
SCHEMBL4537233 0.76 MEN1 (0.56) MEN1KMT2AGAAMAPTAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7771525-B2 Water-soluble azo compound or salt thereof, ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-08-10 US disclosed
US-20100068475-A1 WATER-SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION AND COLORED PRODUCT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-03-18 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-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-7288143-B2 Water-based ink, ink tank having the same, and ink-jet recording process CANON KABUSHIKI KAISHA (JP) 2007-10-30 US disclosed