SCHEMBL745087

SCHEMBL745087

O=[N+](O)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
THRB P10828 1/20 0.50
CA2 P00918 4/20 0.45
CA12 O43570 3/20 0.45
ALOX12 P18054 2/20 0.45
CA7 P43166 2/20 0.45
CA14 Q9ULX7 2/20 0.45
ADH1B P00325 1/20 0.45
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
ADH7 P40394 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA1 P00915 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43

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
Sulfuric Acid SCHEMBL10790028 0.92 CA2 (0.48) IDO1THRBCA2CA12ALOX12
Nitric Acid SCHEMBL10789117 0.81 IDO1 (0.45) IDO1THRBCA2CA12ALOX12
SCHEMBL460010 0.77 PTPRF (0.47) IDO1THRBCA2CA12CA7
Bromide SCHEMBL17187557 0.76 PTPRF (0.46) IDO1THRBCA2CA12CA7
Hydrochloric Acid SCHEMBL6045117 0.76 MAPT (0.46) IDO1THRBCA2CA12CA7
Sulfuric Acid SCHEMBL10790024 0.74 CA2 (0.47) IDO1THRBCA2CA12CA7
Formic Acid SCHEMBL28995624 0.74 ADH1B (0.47) IDO1THRBADH1BADH1CADH1A
SCHEMBL1924802 0.71 CYP3A4 (0.52) IDO1THRBCA2CA12ALOX12
Bicarbonate SCHEMBL23420914 0.69 HDAC8 (0.64) IDO1THRBCA2ADH1BADH1C
Bicarbonate SCHEMBL11577277 0.69 HDAC8 (0.64) IDO1THRBCA2ADH1BADH1C

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
US-20170306157-A1 Modified Colorants and Inkjet Ink Compositions Comprising Modified Colorants CABOT CORP (US) 2017-10-26 US disclosed
US-9732227-B2 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION (US) 2017-08-15 US disclosed
EP-3040382-A1 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS Cabot Corporation (US) 2016-07-06 EP disclosed
US-20160075880-A1 Modified Colorants and Inkjet Ink Compositions Comprising Modified Colorants CABOT CORPORATION 2016-03-17 US disclosed
US-8858695-B2 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION (US) 2014-10-14 US disclosed
EP-2431426-A1 Modified colorants and inkjet ink compositions comprising modified colorants Cabot Corporation (US) 2012-03-21 EP disclosed
EP-2431427-A1 Modified colorants and inkjet ink compositions comprising modified colorants Cabot Corporation (US) 2012-03-21 EP disclosed
EP-2431425-A1 Modified colorants and inkjet ink compositions comprising modified colorants Cabot Corporation (US) 2012-03-21 EP disclosed
EP-1951821-A2 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS Cabot Corporation (US) 2008-08-06 EP disclosed
WO-2007053564-A2 MODIFIED COLORANTS AND INKJET INK COMPOSITIONS COMPRISING MODIFIED COLORANTS CABOT CORPORATION (US) 2007-05-10 WO disclosed
US-20070100024-A1 Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORPORATION 2007-05-03 US disclosed