SCHEMBL9811876

SCHEMBL9811876

O=P(O)(O)C(NS(=O)(=O)c1cccc2cccnc12)P(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
ALDH1A1 P00352 3/20 0.54
POLB P06746 1/20 0.52
MAPK1 P28482 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
PPARG P37231 1/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
MCOLN3 Q8TDD5 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MMP2 P08253 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.48
APOBEC3G Q9HC16 1/20 0.48

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
SCHEMBL12132459 0.80 ALDH1A1 (0.58) GAAALDH1A1POLBMAPK1CA1
SCHEMBL12000927 0.77 GAA (0.64) GAAALDH1A1POLBMAPK1CA1
SCHEMBL7177149 0.76 MAPK1 (0.52) GAAALDH1A1POLBMAPK1CA1
SCHEMBL10776262 0.75 ALDH1A1 (0.51) GAAALDH1A1POLBMAPK1CA1
SCHEMBL2407384 0.74 MEN1 (0.53) GAAALDH1A1POLBKMT2AMEN1
SCHEMBL2372160 0.74 MAPK1 (0.62) GAAALDH1A1POLBMAPK1CA1
SCHEMBL5806238 0.74 MAPK1 (0.67) GAAALDH1A1POLBMAPK1CA1
SCHEMBL4178176 0.74 MAPT (0.62) GAAALDH1A1POLBMAPK1CA1
SCHEMBL28590343 0.74 PPARG (0.68) GAAALDH1A1POLBMAPK1CA1
SCHEMBL7317448 0.74 GAA (0.59) GAAALDH1A1POLBMAPK1CA1

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
EP-0243173-B1 NEW DIPHOSPHONIC ACID COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-06-26 EP disclosed
US-4963536-A INHIBIT BONE RESORPTION FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-10-16 US disclosed
US-4857513-A Diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISIWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
EP-0243173-A2 New diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-28 EP disclosed