SCHEMBL1176290

SCHEMBL1176290

Nc1c(N=Nc2ccc3c(O)c(N=Nc4ccc([N+](=O)[O-])cc4S(=O)(=O)O)c(S(=O)(=O)O)cc3c2)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccc4c(O)c(N=Nc5ccc([N+](=O)[O-])cc5S(=O)(=O)O)c(S(=O)(=O)O)cc4c3)c(O)c12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 10/20 0.63
CD40 P25942 1/20 0.51
CD40LG P29965 1/20 0.51
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
CSNK2A1 P68400 1/20 0.48
HSD17B10 Q99714 1/20 0.48
APEX1 P27695 1/20 0.44
PRMT1 Q99873 1/20 0.43
NT5E P21589 1/20 0.43
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL15424332 0.97 ENPP2 (0.59) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL12062604 0.97 ENPP2 (0.66) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13265398 0.94 ENPP2 (0.57) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL14533707 0.94 ENPP2 (0.57) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13265360 0.94 ENPP2 (0.69) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13265276 0.93 ENPP2 (0.56) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL12016079 0.92 ENPP2 (0.59) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13265356 0.92 ENPP2 (0.61) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL15423337 0.92 ENPP2 (0.58) ENPP2CD40CD40LGCYP1A2CYP3A4
SCHEMBL13997561 0.91 ENPP2 (0.57) ENPP2CD40CD40LGCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10190009-B2 Ink composition, ink jet recording method using same, and colored material NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-01-29 US disclosed
US-20160160065-A1 INK COMPOSITION, INK JET RECORDING METHOD USING SAME, AND COLORED MATERIAL NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2016-06-09 US disclosed
US-8834619-B2 Ink composition, ink for inkjet recording and inkjet recording method FUJIFILM CORPORATION (JP) 2014-09-16 US disclosed
US-20140013997-A1 INK COMPOSITION, INK FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2014-01-16 US disclosed
US-8353573-B2 Waste ink absorbent member, and waste ink container and ink jet recording apparatus equipped with waste ink absorbent member CANON KABUSHIKI KAISHA (JP) 2013-01-15 US disclosed
US-20120218345-A1 WASTE INK ABSORBENT MEMBER, AND WASTE INK CONTAINER AND INK JET RECORDING APPARATUS EQUIPPED WITH WASTE INK ABSORBENT MEMBER CANON KABUSHIKI KAISHA (JP) 2012-08-30 US disclosed
US-8152273-B2 Waste ink absorbent member, and waste ink container and ink jet recording apparatus equipped with waste ink absorbent member CANON KABUSHIKI KAISHA (JP) 2012-04-10 US disclosed
US-7883185-B2 Thermal ink-jet ink and ink cartridge using the same CANON KABUSHIKI KAISHA (JP) 2011-02-08 US disclosed
US-7758156-B2 Image forming method, image forming apparatus, and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2010-07-20 US disclosed
US-7594719-B2 Mailing ink, and ink tank for mailing, ink jet recording method for mailing and ink jet recording apparatus for mailing using the same CANON KABUSHIKI KAISHA (JP) 2009-09-29 US disclosed
US-20090231388-A1 WASTE INK ABSORBENT MEMBER, AND WASTE INK CONTAINER AND INK JET RECORDING APPARATUS EQUIPPED WITH WASTE INK ABSORBENT MEMBER CANON KABUSHIKI KAISHA (JP) 2009-09-17 US disclosed
US-20090214789-A1 MAILING INK, AND INK TANK FOR MAILING, INK JET RECORDING METHOD FOR MAILING AND INK JET RECORDING APPARATUS FOR MAILING USING THE SAME CANON KABUSHIKI KAISHA (JP) 2009-08-27 US disclosed
US-7578585-B2 Thermal ink-jet ink and ink cartridge using the ink CANON KABUSHIKI KAISHA (JP) 2009-08-25 US disclosed
US-7462228-B2 Water-base black ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-12-09 US disclosed
US-20070242100-A1 IMAGE FORMING METHOD, IMAGE FORMING APPARATUS, AND INK JET RECORDING APPARATUS CANON KABUSHIKI KAISHA (JP) 2007-10-18 US disclosed
US-7247193-B2 Ink, ink set, ink jet recording method, ink cartridge, recording unit, and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2007-07-24 US disclosed
US-20070148376-A1 MAILING INK, AND INK TANK FOR MAILING, INK JET RECORDING METHOD FOR MAILING AND INK JET RECORDING APPARATUS FOR MAILING USING THE SAME CANON KABUSHIKI KAISHA (JP) 2007-06-28 US disclosed
US-20070109390-A1 Thermal ink-jet ink and ink cartridge using the ink CANON KABUSHIKI KAISHA (JP) 2007-05-17 US disclosed
US-20070109372-A1 Thermal ink-jet ink and ink cartridge using the same CANON KABUSHIKI KAISHA (JP) 2007-05-17 US disclosed
US-7198664-B2 Ink jet black ink, ink set, ink jet recording method, ink cartridge, recording unit, and ink jet recording apparatus CANON KABUSHIKI KAISHA (JP) 2007-04-03 US disclosed