SCHEMBL9768892

SCHEMBL9768892

O=S(=O)(O)c1ccc2c(OS(=O)(=O)c3cc(O)c4c(S(=O)(=O)O)cccc4c3)cc(S(=O)(=O)O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP5 Q16690 1/20 0.48
TSHR P16473 2/20 0.46
CYP1A2 P05177 5/20 0.42
CYP2C9 P11712 3/20 0.42
MAPK1 P28482 2/20 0.42
DNASE1L3 Q13609 1/20 0.42
CASP6 P55212 4/20 0.41
NSD2 O96028 3/20 0.41
DUSP3 P51452 2/20 0.41
PTPN5 P54829 2/20 0.41
PTPN11 Q06124 2/20 0.41
ALDH1A1 P00352 3/20 0.41
HIF1A Q16665 2/20 0.41
MEN1 O00255 2/20 0.40
THRB P10828 2/20 0.40
KMT2A Q03164 2/20 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

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
SCHEMBL9768894 0.88 CASP6 (0.47) DUSP5TSHRCYP1A2CYP2C9MAPK1
SCHEMBL6571754 0.83 CASP6 (0.51) TSHRCYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL30491182 0.82 DUSP5 (0.62) DUSP5TSHRCYP1A2CYP2C9MAPK1
SCHEMBL465011 0.82 DUSP5 (0.62) DUSP5TSHRCYP1A2CYP2C9MAPK1
SCHEMBL18274854 0.82 DUSP5 (0.62) DUSP5TSHRCYP1A2CYP2C9MAPK1
SCHEMBL18274852 0.81 DUSP5 (0.60) DUSP5TSHRCYP1A2CYP2C9MAPK1
SCHEMBL18274867 0.81 DUSP5 (0.60) DUSP5TSHRCYP1A2CYP2C9MAPK1
Potassium SCHEMBL18274869 0.81 DUSP5 (0.60) DUSP5TSHRCYP1A2CYP2C9MAPK1
SCHEMBL11314563 0.80 MEN1 (0.43) TSHRCYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8959237 0.77 CASP6 (0.50) TSHRCYP1A2CYP2C9MAPK1DNASE1L3

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