SCHEMBL9952019

SCHEMBL9952019

O=S(=O)(O)c1ccccc1N(c1ccccc1O)c1ccccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
MYC P01106 1/20 0.37
CDK2 P24941 2/20 0.36
MPL P40238 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 1/20 0.35
CA2 P00918 4/20 0.35
CA1 P00915 3/20 0.35
HTR6 P50406 1/20 0.34
COMT P21964 1/20 0.34
PGAM1 P18669 1/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 2/20 0.33
CA12 O43570 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
NFKB1 P19838 2/20 0.33
CA4 P22748 2/20 0.33

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
Formaldehyde SCHEMBL2403598 0.96 TTR (0.37) TTRAURKAAURKBMYCCDK2
SCHEMBL3281847 0.78 TSHR (0.41) TTRMYCCDK2SMN1; SMN2TSHR
SCHEMBL4363784 0.78 ALDH1A1 (0.53) CDK2SMN1; SMN2TSHRCA2CA1
Phenolsulphonic Acid SCHEMBL11154671 0.77 SMN1; SMN2 (0.46) TTRAURKAAURKBMYCCDK2
Phenolsulphonic Acid SCHEMBL18274 0.77 SMN1; SMN2 (0.46) TTRAURKAAURKBMYCCDK2
Phenolsulphonic Acid SCHEMBL29449532 0.77 SMN1; SMN2 (0.46) TTRAURKAAURKBMYCCDK2
Phenolsulphonic Acid SCHEMBL2519919 0.74 SMN1; SMN2 (0.50) TTRAURKAAURKBMYCCDK2
Phenolsulphonic Acid SCHEMBL2519915 0.74 AURKA (0.44) TTRAURKAAURKBMYCCDK2
Phenolsulphonic Acid SCHEMBL20815894 0.74 AURKA (0.44) TTRAURKAAURKBMYCCDK2
Phenolsulphonic Acid SCHEMBL10587629 0.74 SMN1; SMN2 (0.50) TTRAURKAAURKBMYCCDK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102668197-A Lead-acid accumulator SHIN KOBE ELECTRIC MACHINERY 2012-09-12 CN disclosed
WO-2012086008-A1 LEAD STORAGE BATTERY 新神戸電機株式会社 (JP) 2012-06-28 WO disclosed