SCHEMBL9881373

SCHEMBL9881373

Nc1cc(N=Nc2ccc(O)cc2)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.51
▸ MMP14 P50281 1/20 0.51
▸ CASP6 P55212 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ APP P05067 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ SNCA P37840 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46

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
SCHEMBL14466562 0.79 CYP2C9 (0.51) NSD2MMP14CASP6HSD17B10CYP2C9
SCHEMBL9881365 0.77 ALDH1A1 (0.53) NSD2MMP14CASP6HSD17B10CYP2C9
SCHEMBL11821604 0.76 SUMO2 (0.50) ALDH1A1TDP1MEN1APPMAPT
SCHEMBL11821612 0.76 SUMO2 (0.50) ALDH1A1TDP1MEN1APPMAPT
SCHEMBL15298741 0.75 BRD4 (0.58) NSD2MMP14CASP6HSD17B10CYP2C9
SCHEMBL11144901 0.74 IDE (0.54) NSD2MMP14CASP6HSD17B10CYP2C9
SCHEMBL11144896 0.74 IDE (0.54) NSD2MMP14CASP6HSD17B10CYP2C9
SCHEMBL8747632 0.74 ALDH1A1 (0.68) NSD2CASP6HSD17B10ALDH1A1TDP1
SCHEMBL15298726 0.73 SENP2 (0.57) NSD2MMP14CASP6HSD17B10CYP2C9
SCHEMBL15298743 0.73 BRD4 (0.62) NSD2MMP14CASP6HSD17B10CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2457957-B1 Azo dyes for paper dyeing KEMIRA OYJ (FI) 2017-08-09 — — EP disclosed
US-8734534-B2 Azo dyes KEMIRA OYJ (FI) 2014-05-27 — — US disclosed
US-8734534-B2 Azo dyes KEMIRA OYJ (FI) 2014-05-27 — — US disclosed
US-20130255007-A1 AZO DYES CHROMASCAPE, LLC 2013-10-03 — — US disclosed
US-20130255007-A1 AZO DYES CHROMASCAPE, LLC 2013-10-03 — — US disclosed
WO-2012072632-A1 AZO DYES KEMIRA OYJ (FI) 2012-06-07 — — WO disclosed
EP-2457957-A1 Azo dyes for paper dyeing Kemira Oyj (FI) 2012-05-30 — — EP disclosed
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