SCHEMBL12920165

SCHEMBL12920165

NNc1ccc2cc(S(=O)(=O)O)cc(O)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 3/20 0.72
CASP6 P55212 4/20 0.68
NSD2 O96028 3/20 0.68
DUSP3 P51452 2/20 0.68
PTPN5 P54829 2/20 0.68
PTPN11 Q06124 2/20 0.68
CASP7 P55210 1/20 0.68
PRMT1 Q99873 3/20 0.56
ALDH1A1 P00352 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.50
SNCA P37840 2/20 0.45
ENPP2 Q13822 2/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41

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
SCHEMBL12620598 0.89 PRMT1 (0.70) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8440189 0.86 NT5E (0.70) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL4651295 0.86 CASP6 (0.69) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL8439783 0.84 NT5E (1.00) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL4250944 0.83 SNCA (0.62) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL10900036 0.83 PRMT1 (0.81) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL9682571 0.83 CASP6 (0.84) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL29384348 0.83 PRMT1 (0.81) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL11721098 0.82 CASP6 (0.78) NT5ECASP6NSD2DUSP3PTPN5
SCHEMBL10416686 0.82 CASP6 (0.76) NT5ECASP6NSD2DUSP3PTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110014435-A1 Process for Printing an Image, Composition and Compound FUJIFILM IMAGING COLORANTS LIMITED (GB) 2011-01-20 US disclosed
US-20110014435-A1 Process for Printing an Image, Composition and Compound FUJIFILM IMAGING COLORANTS LIMITED (GB) 2011-01-20 US disclosed
WO-2007017628-A2 PROCESS FOR PRINTING AN IMAGE, COMPOSITION AND COMPOUND FUJIFILM IMAGING COLORANTS LIMITED (GB) 2007-02-15 WO disclosed