SCHEMBL9509844

SCHEMBL9509844

O=S(=O)([O-])c1cccc(O)c1O.O=S(=O)([O-])c1cccc(O)c1O.O=S(=O)([O-])c1cccc(O)c1O.O=S(=O)([O-])c1cccc(O)c1O.O=S(=O)([O-])c1cccc(O)c1O.O=S(=O)([O-])c1cccc(O)c1O.[Mo+6]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.50
CDK2 P24941 2/20 0.48
DUSP5 Q16690 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
ADAMTS4 O75173 1/20 0.46
ALDH1A1 P00352 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
FYN P06241 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MMP8 P22894 1/20 0.46
CA6 P23280 1/20 0.46
MMP12 P39900 1/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
Lithium Ion SCHEMBL29083050 0.96 DUSP5 (0.46) NR4A1CDK2DUSP5CA1CA2
SCHEMBL452424 0.96 DUSP5 (0.50) NR4A1CDK2DUSP5CA1CA2
SCHEMBL9805973 0.96 PTGS1 (0.48) NR4A1CDK2DUSP5CA1CA2
SCHEMBL11199053 0.96 DUSP5 (0.50) NR4A1CDK2DUSP5CA1CA2
Potassium Ion SCHEMBL5191230 0.96 NR4A1 (0.50) NR4A1CDK2DUSP5CA1CA2
Water SCHEMBL28391333 0.94 PTGS1 (0.47) NR4A1CDK2DUSP5CA1CA2
SCHEMBL8144698 0.87 DUSP5 (0.44) NR4A1CDK2DUSP5CA1CA2
SCHEMBL7784950 0.84 DUSP5 (0.50) NR4A1CDK2DUSP5TDP1PTGS1
SCHEMBL5518503 0.82 CDK2 (0.63) CDK2CA1CA2ADAMTS4ALDH1A1
Phenolsulphonic Acid SCHEMBL3700204 0.82 PTGS1 (0.52) NR4A1CDK2DUSP5CA1CA2

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
JP-5032926-A None JP disclosed
JP-5148435-A None JP disclosed
JP-H05148435-A METHOD FOR ERASING ERASABLE WATER-SOLUBLE INK SCRIPT PENTEL KK 1993-06-15 JP disclosed
JP-H0532926-A ERASABLE WATER-SOLUBLE INK COMPOSITION PENTEL KK 1993-02-09 JP disclosed