SCHEMBL4571191

SCHEMBL4571191

CC(=O)Nc1ccc(SCCCS(=O)(=O)O)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 4/20 0.40
ENPP2 Q13822 1/20 0.40
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA2 P00918 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CA1 P00915 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 2/20 0.38
GLA P06280 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38

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
SCHEMBL4571190 0.81 THRB (0.50) TDP1PKMCA2ALDH1A1MAPT
SCHEMBL8921659 0.79 MTNR1A (0.50) TDP1KDM4EALDH1A1NPC1RAB9A
SCHEMBL4567501 0.79 NPC1 (0.41) TDP1CA2ALDH1A1NPC1RAB9A
SCHEMBL12845174 0.76 TDP1 (0.65) TDP1ENPP2PKMCYP2C19CA2
SCHEMBL12781112 0.76 MEN1 (0.46) TDP1CA2ALDH1A1MAPTKMT2A
SCHEMBL4571242 0.75 HPGD (0.47) TDP1KDM4ECYP2C19CA2ALDH1A1
SCHEMBL4567512 0.75 SLC6A2 (0.41) CA2CA1CA9CA12MAPT
SCHEMBL15292331 0.74 MAPT (0.38) KDM4EENPP2CA2ALDH1A1CA1
SCHEMBL10995756 0.74 RAB9A (0.56) KDM4EPKMCA2ALDH1A1CA1
SCHEMBL29594647 0.73 TDP1 (0.53) TDP1KDM4ECYP2C19CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3378911-B1 AQUEOUS INK, INK CARTRIDGE, AND INK JET RECORDING METHOD CANON KK (JP) 2020-05-13 EP disclosed
US-10240053-B2 Aqueous ink, ink cartridge, and ink jet recording method CANON KABUSHIKI KAISHA (JP) 2019-03-26 US disclosed
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