SCHEMBL8100276

SCHEMBL8100276

O=S(=O)(O)c1cc(O)c2cc(NS(=O)(=O)c3ccccc3)ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.71
DUSP3 P51452 1/20 0.71
PTPN5 P54829 1/20 0.71
CASP7 P55210 1/20 0.71
CASP6 P55212 1/20 0.71
PTPN11 Q06124 1/20 0.71
NT5E P21589 2/20 0.60
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
GAA P10253 2/20 0.56
GFER P55789 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
HSP90AA1 P07900 1/20 0.55
HSP90AB1 P08238 1/20 0.55
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SNCA P37840 1/20 0.50
PRMT1 Q99873 1/20 0.50
AKR1C3 P42330 1/20 0.49

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
SCHEMBL7883053 0.90 PRMT1 (0.62) NSD2DUSP3PTPN5CASP7CASP6
SCHEMBL1413066 0.87 NT5E (0.57) NSD2DUSP3PTPN5CASP7CASP6
SCHEMBL10823372 0.87 NT5E (0.66) NSD2DUSP3PTPN5CASP7CASP6
SCHEMBL10823488 0.86 PRMT1 (0.64) NSD2DUSP3PTPN5CASP7CASP6
SCHEMBL10823476 0.84 PRMT1 (0.62) NSD2DUSP3PTPN5CASP7CASP6
SCHEMBL27676540 0.84 NT5E (0.57) NSD2DUSP3PTPN5CASP7CASP6
SCHEMBL29401736 0.83 CASP6 (1.00) NSD2DUSP3PTPN5CASP7CASP6
SCHEMBL590150 0.83 CASP6 (1.00) NSD2DUSP3PTPN5CASP7CASP6
SCHEMBL8440189 0.83 NT5E (0.70) NSD2DUSP3PTPN5CASP7CASP6
SCHEMBL10823705 0.83 NT5E (0.53) NSD2DUSP3PTPN5CASP7CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6015885-A COLOR-STABLE, WATERPROOF DYES FOR NATURAL FIBERS OR REGENERATED CELLULOSE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-18 US disclosed