SCHEMBL8044728

SCHEMBL8044728

Cc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.68
▸ TBXA2R P21731 7/20 0.66
▸ MAPT P10636 6/20 0.63
▸ KMT2A Q03164 5/20 0.63
▸ MEN1 O00255 4/20 0.63
▸ TDP1 Q9NUW8 3/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ GAA P10253 2/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ POLB P06746 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ CASP6 P55212 1/20 0.63
▸ ELAVL1 Q15717 1/20 0.63
▸ RAPGEF4 Q8WZA2 1/20 0.50
▸ GFER P55789 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ SNCA P37840 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.47

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
SCHEMBL2032113 0.86 NT5E (0.85) NT5ETBXA2RMAPTKMT2AMEN1
SCHEMBL7820869 0.86 NT5E (0.67) NT5ETBXA2RMAPTKMT2AMEN1
SCHEMBL10413185 0.86 NT5E (0.64) NT5ETBXA2RMAPTKMT2AMEN1
SCHEMBL10881471 0.85 NT5E (0.66) NT5ETBXA2RMAPTKMT2AMEN1
SCHEMBL10880062 0.84 NT5E (0.65) NT5ETBXA2RMAPTKMT2AMEN1
SCHEMBL11104382 0.83 NT5E (0.70) NT5ETBXA2RMAPTKMT2AMEN1
SCHEMBL14166656 0.82 GAA (0.77) NT5ETBXA2RMAPTKMT2AMEN1
SCHEMBL11655113 0.82 NT5E (0.59) NT5ETBXA2RMAPTKMT2AMEN1
SCHEMBL11110261 0.82 NT5E (0.69) NT5ETBXA2RMAPTKMT2AMEN1
SCHEMBL10628268 0.82 NT5E (0.52) NT5ETBXA2RMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457955-B1 Trisazo dyes for paper dyeing KEMIRA OYJ (FI) 2017-08-09 — — EP disclosed
US-9023118-B2 Azo dyes KEMIRA OYJ (FI) 2015-05-05 — — US disclosed
US-9023118-B2 Azo dyes KEMIRA OYJ (FI) 2015-05-05 — — US disclosed
US-20130269124-A1 AZO DYES CHROMASCAPE, LLC 2013-10-17 — — US disclosed
US-20130269124-A1 AZO DYES CHROMASCAPE, LLC 2013-10-17 — — US disclosed
WO-2012072635-A1 AZO DYES KEMIRA OYJ (FI) 2012-06-07 — — WO disclosed
EP-2457955-A1 Trisazo dyes for paper dyeing Kemira Oyj (FI) 2012-05-30 — — EP disclosed
US-6072083-A Method for purifying branched chain amino acids AJINOMOTO CO., INC. (JP) 2000-06-06 — — US disclosed
EP-0861826-B1 Method for purifying branched chain amino acids AJINOMOTO KK (JP) 2000-04-26 — — EP disclosed
EP-0861826-A1 Method for purifying branched chain amino acids Ajinomoto Co., Inc. (JP) 1998-09-02 — — EP disclosed
Send feedback