SCHEMBL6571750

SCHEMBL6571750

O=S(=O)(O)c1cc(O)c2ccccc2c1.O=S(=O)(O)c1ccc2c(O)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 5/20 0.66
NSD2 O96028 3/20 0.66
DUSP3 P51452 2/20 0.66
PTPN5 P54829 2/20 0.66
PTPN11 Q06124 2/20 0.66
PRMT1 Q99873 2/20 0.60
NT5E P21589 2/20 0.57
CASP7 P55210 1/20 0.56
CYP1A2 P05177 3/20 0.56
CYP2C9 P11712 3/20 0.56
HIF1A Q16665 2/20 0.56
CYP2C19 P33261 2/20 0.56
HSD17B10 Q99714 2/20 0.56
TSHR P16473 1/20 0.56
PTPRA P18433 1/20 0.56
PTPRB P23467 1/20 0.56
RAPGEF4 Q8WZA2 1/20 0.56
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL589899 0.95 CASP6 (0.62) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL9093564 0.95 CASP6 (0.62) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL9093547 0.93 CASP6 (0.60) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL10790422 0.93 CASP6 (0.60) CASP6NSD2DUSP3PTPN5PTPN11
1-Naphthol SCHEMBL8959240 0.92 CASP6 (0.60) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL29462031 0.91 CASP6 (0.77) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL465086 0.91 CASP6 (0.77) CASP6NSD2DUSP3PTPN5PTPN11
Potassium SCHEMBL18274860 0.89 CASP6 (0.74) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL565058 0.89 CASP6 (0.74) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL18274858 0.89 CASP6 (0.74) CASP6NSD2DUSP3PTPN5PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6746526-B1 HAVING AT LEAST HYDROXY-, AMINO- AND SULPHATO- ARYL SUBSTITUTION AVECIA LIMITED (GB) 2004-06-08 US disclosed
EP-1228149-B1 DISAZO DYESTUFFS FOR INK JET PRINTING AVECIA LTD (GB) 2004-04-14 EP disclosed
EP-1228149-A1 DISAZO DYESTUFFS FOR INK JET PRINTING Avecia Limited (GB) 2002-08-07 EP disclosed
WO-2001030917-A1 DISAZODYESTUFFS FOR INK JET PRINTING AVECIA LIMITED (GB) 2001-05-03 WO disclosed