Zinc Ion

Zinc Ion

SCHEMBL14765261

Nc1cc(S(=O)(=O)[O-])ccc1S.Nc1cc(S(=O)(=O)[O-])ccc1S.O=S(=O)([O-])c1ccc(S)c(O)c1.O=S(=O)([O-])c1ccc(S)c(O)c1.O=S(=O)([O-])c1ccc(S)c(O)c1.O=S(=O)([O-])c1ccc(S)c(O)c1.[Zn+2].[Zn+2].[Zn+2]

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 3/20 0.47
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
PTPN1 P18031 3/20 0.41
PKLR P30613 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
CASP6 P55212 2/20 0.38
POLB P06746 1/20 0.38
APOBEC3A P31941 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
Zinc Ion SCHEMBL6515915 0.89 LMNA (0.41) ALDH1A1HSD17B10CA12CA1CA2
Zinc Ion SCHEMBL6514639 0.89 PTPN1 (0.48) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL6521875 0.86 PTPN1 (0.52) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL6520586 0.86 LMNA (0.45) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL14765260 0.85 ALDH1A1 (0.62) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL6515662 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL6520593 0.78 ALDH1A1 (0.62) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL6520583 0.77 ALDH1A1 (0.60) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL6515907 0.77 ALDH1A1 (0.60) ALDH1A1HSD17B10CA12CA1CA2
SCHEMBL14185966 0.76 CA2 (0.61) ALDH1A1HSD17B10CA12CA1CA2

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-20130065707-A1 GOLF BALL DUNLOP SPORTS CO. LTD. (JP) 2013-03-14 US disclosed