SCHEMBL9768894

SCHEMBL9768894

O=S(=O)(O)c1cc(O)c2ccc(S(=O)(=O)Oc3cc(S(=O)(=O)O)cc4cccc(S(=O)(=O)O)c34)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 5/20 0.47
NSD2 O96028 3/20 0.47
DUSP3 P51452 2/20 0.47
PTPN5 P54829 2/20 0.47
PTPN11 Q06124 2/20 0.47
CYP1A2 P05177 4/20 0.45
PRMT1 Q99873 1/20 0.44
DUSP5 Q16690 1/20 0.42
NT5E P21589 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HIF1A Q16665 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PTPRA P18433 1/20 0.40
PTPRB P23467 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
DNASE1L3 Q13609 1/20 0.40

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
SCHEMBL9768892 0.88 DUSP5 (0.48) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL6571754 0.85 CASP6 (0.51) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL8959237 0.82 CASP6 (0.50) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL11314563 0.78 MEN1 (0.43) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL6571750 0.77 CASP6 (0.66) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL465011 0.77 DUSP5 (0.62) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL18274854 0.77 DUSP5 (0.62) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL30491182 0.77 DUSP5 (0.62) CASP6NSD2DUSP3PTPN5PTPN11
SCHEMBL6742392 0.75 HTR6 (0.46) CYP1A2ALDH1A1MAPK1MEN1KMT2A
Potassium SCHEMBL18274869 0.75 DUSP5 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5021558-A Color strength, fastness HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed