SCHEMBL4571190

SCHEMBL4571190

CC(=O)Nc1ccc(SCCCS(=O)(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
HTT P42858 1/20 0.49
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
CA2 P00918 2/20 0.47
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.44
ALDH3A1 P30838 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4571191 0.81 TDP1 (0.44) ALDH1A1POLBHPGDCA2MAPT
SCHEMBL4567502 0.81 CA2 (0.53) HTTALDH1A1CA2MAPTTDP1
SCHEMBL18261765 0.78 THRB (0.61) THRBHTTALDH1A1L3MBTL1POLB
SCHEMBL12781110 0.78 CA2 (0.53) ALDH1A1POLBHPGDCA2MAPT
SCHEMBL12845175 0.78 ALDH1A1 (0.52) HTTALDH1A1POLBMAPTTDP1
SCHEMBL12845176 0.78 CA2 (0.50) ALDH1A1POLBHPGDCA2MAPT
SCHEMBL12781104 0.77 CA2 (0.55) ALDH1A1HPGDCA2MAPTGAA
SCHEMBL8923011 0.76 HTT (0.62) THRBHTTALDH1A1L3MBTL1POLB
SCHEMBL8444661 0.73 HTT (0.52) THRBHTTALDH1A1L3MBTL1POLB
SCHEMBL28729790 0.73 HTT (0.58) THRBHTTALDH1A1L3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2674462-B1 Ink, ink cartridge and ink jet recording method CANON KK (JP) 2016-12-14 EP disclosed
US-8932393-B2 Azo compound, ink composition, recording method and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-01-13 US disclosed
US-8932393-B2 Azo compound, ink composition, recording method and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-01-13 US disclosed
US-8864891-B2 Ink composition, inkjet recording method and colored body NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-10-21 US disclosed
US-8864891-B2 Ink composition, inkjet recording method and colored body NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2014-10-21 US disclosed
US-8814341-B2 Ink, ink cartridge and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2014-08-26 US disclosed
US-8556406-B2 Coloring matter consisting of trisazo compound, ink compositions, recording method, and colored body NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-10-15 US disclosed
US-20130257974-A1 INK COMPOSITION, INKJET RECORDING METHOD AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-10-03 US disclosed
US-20130257974-A1 INK COMPOSITION, INKJET RECORDING METHOD AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-10-03 US disclosed
US-20120120148-A1 COLORING MATTER CONSISTING OF TRISAZO COMPOUND, INK COMPOSITIONS, RECORDING METHOD, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-05-17 US disclosed
US-20110050787-A1 TRISAZO COMPOUND, INK COMPOSITION, RECORDING METHOD AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-03-03 US disclosed