SCHEMBL745015

SCHEMBL745015

O=[N+]([O-])c1ccc2c(ccc(O)[n+]2[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
ALDH1A1 P00352 4/20 0.43
GPR35 Q9HC97 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
ALOX15 P16050 2/20 0.41
ERN1 O75460 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.38
NOS1 P29475 2/20 0.38
POLB P06746 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAOB P27338 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TXNRD1 Q16881 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
SCHEMBL28326813 0.80 MAPT (0.41) TSHRALDH1A1SMN1; SMN2ALOX15MAPT
SCHEMBL9738051 0.80 TSHR (0.46) TSHRALDH1A1MAPK1SMN1; SMN2ALOX15
SCHEMBL28122579 0.73 TSHR (0.59) TSHRALDH1A1GPR35TP53HPGD
SCHEMBL743247 0.72 MEN1 (0.41) TSHRALDH1A1SMN1; SMN2ALOX15MAPT
SCHEMBL3829978 0.71 TSHR (0.56) TSHRALDH1A1GPR35TP53HPGD
SCHEMBL1772400 0.71 TSHR (0.44) TSHRALDH1A1MAPTLMNANOS1
SCHEMBL9779126 0.71 ALDH1A1 (0.59) TSHRALDH1A1GPR35TP53HPGD
SCHEMBL15763574 0.70 TSHR (0.42) TSHRALDH1A1GPR35TP53HPGD
SCHEMBL28338203 0.69 TSHR (0.54) TSHRALDH1A1GPR35TP53HPGD
Iodide SCHEMBL3852937 0.69 MAPT (0.47) TSHRALDH1A1MAPK1SMN1; SMN2ALOX15

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
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
CN-101379143-B Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORP 2014-02-12 CN 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
CN-101379143-A Modified colorants and inkjet ink compositions comprising modified colorants CABOT CORP (US) 2009-03-04 CN 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