SCHEMBL27701977

SCHEMBL27701977

O=S(=O)(O)c1cc(O)cc(O)c1.[MgH2]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
ING2 Q9H160 1/20 0.50
LCK P06239 2/20 0.46
FYN P06241 1/20 0.46
BACE1 P56817 1/20 0.44
NT5E P21589 3/20 0.42
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 4/20 0.41
CASP6 P55212 3/20 0.39
NSD2 O96028 3/20 0.39
GAA P10253 1/20 0.39
PLCG1 P19174 1/20 0.39
DNMT1 P26358 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL669486 0.97 LMNA (0.55) LMNAING2LCKFYNBACE1
SCHEMBL6639176 0.97 LMNA (0.55) LMNAING2LCKFYNBACE1
SCHEMBL7803308 0.92 LMNA (0.55) LMNAING2LCKFYNBACE1
SCHEMBL27752734 0.89 LMNA (0.52) LMNAING2LCKFYNBACE1
SCHEMBL26691692 0.89 LMNA (0.52) LMNAING2LCKFYNBACE1
SCHEMBL19024619 0.80 LMNA (0.44) LMNAING2LCKFYNBACE1
SCHEMBL17262659 0.80 LMNA (0.44) LMNAING2LCKFYNBACE1
SCHEMBL8871122 0.80 ALDH1A1 (0.52) LMNAING2LCKFYNNT5E
SCHEMBL17262670 0.80 LMNA (0.44) LMNAING2LCKFYNNT5E
SCHEMBL17262652 0.80 CA12 (0.52) LMNAING2LCKFYNNT5E

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
CN-101081824-A 2,5-dihydroxy benzenes sulfonic acid magnesium and hydrate thereof ZHENHUA HUANG (CN) 2007-12-05 CN claimed