SCHEMBL8715030

SCHEMBL8715030

O=P(O)(O)C(Cc1ccccn1)S(=O)(=O)O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.64
PTPRA P18433 1/20 0.47
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
KCNA5 P22460 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
CA2 P00918 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
Lithium SCHEMBL8715067 0.79 FDPS (0.47) FDPSPTPRALMNATDP1ALDH1A1
SCHEMBL8715057 0.79 FDPS (0.47) FDPSPTPRALMNATDP1ALDH1A1
Piridronic Acid SCHEMBL223779 0.78 FDPS (1.00) FDPSPTPRAALDH1A1GRIN2DGRIN3B
SCHEMBL8712943 0.75 FDPS (0.67) FDPSALDH1A1SMN1; SMN2KMT2ACYP1A2
SCHEMBL8711807 0.73 FDPS (0.40) FDPSLMNAALDH1A1SMN1; SMN2KMT2A
Pyridin-2-Ylmethylphosphonic Acid SCHEMBL1585351 0.72 FDPS (0.65) FDPSALDH1A1KCNA5SMN1; SMN2
Pyridin-2-Ylmethylphosphonic Acid SCHEMBL31467550 0.72 FDPS (0.65) FDPSALDH1A1KCNA5SMN1; SMN2
Piridronic Acid SCHEMBL634964 0.72 FDPS (0.79) FDPSPTPRAALDH1A1GRIN2DGRIN3B
SCHEMBL8732990 0.71 PTPRA (0.54) FDPSPTPRALMNATDP1GRIN2D
SCHEMBL31120429 0.71 PTPRA (0.54) FDPSPTPRALMNATDP1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1255501-A Novel phosphonyl sulfonic ester compound and its medicinal compsns. PROCTER & GAMBLE PHARMA (US) 2000-06-07 CN disclosed
CN-1229083-A Novel phosphononosulfonate compounds and its pharmaceutical compositions PROCTER & GAMBLE PHARMA (US) 1999-09-22 CN disclosed
EP-0642518-B1 PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMA (US) 1998-08-05 EP disclosed
US-5731299-A OSTEOPOROSIS; RHEUMATOID ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1998-03-24 US disclosed
EP-0642518-A1 PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS (US) 1995-03-15 EP disclosed
CN-1087640-A Novel phosphonosulfonate compounds, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism PROCTER & GAMBLE PHARMA (US) 1994-06-08 CN disclosed
WO-1993024495-A1 PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 WO disclosed