SCHEMBL28043934

SCHEMBL28043934

O=[SH](=O)N([SH](=O)=O)S(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APOBEC3G Q9HC16 1/20 0.54
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSD11B1 P28845 1/20 0.47
HTR6 P50406 2/20 0.46
PSIP1 O75475 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL29086271 0.77 TSHR (0.50) KMT2ATDP1HTR6ALDH1A1MEN1
SCHEMBL11211293 0.75 APOBEC3G (0.58) APOBEC3GKMT2ATDP1HSD11B1HTR6
SCHEMBL26413509 0.75 APOBEC3G (0.58) APOBEC3GKMT2ATDP1HSD11B1HTR6
SCHEMBL182738 0.75 LMNA (0.67) APOBEC3GKMT2ATDP1HSD11B1HTR6
Water SCHEMBL28154432 0.73 LMNA (0.64) APOBEC3GKMT2ATDP1HSD11B1HTR6
Hydrochloric Acid SCHEMBL19211700 0.73 LMNA (0.64) APOBEC3GKMT2ATDP1HSD11B1HTR6
Hydrochloric Acid SCHEMBL1017218 0.73 LMNA (0.64) APOBEC3GKMT2ATDP1HSD11B1HTR6
SCHEMBL7022399 0.71 APOBEC3G (0.67) APOBEC3GKMT2ATDP1HSD11B1HTR6
SCHEMBL3279839 0.71 CA12 (0.63) APOBEC3GKMT2ATDP1HSD11B1HTR6
SCHEMBL7764047 0.71 APOBEC3G (0.54) APOBEC3GKMT2ATDP1HSD11B1HTR6

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-105143206-A Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE F R MEDICINSK FORSKNING 2015-12-09 CN disclosed