SCHEMBL7790457

SCHEMBL7790457

O=P(O)(O)C(Nc1ccncc1)P(=O)(O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.64
CA9 Q16790 4/20 0.64
FDPS P14324 4/20 0.62
MMP2 P08253 9/20 0.62
CA1 P00915 4/20 0.62
CA2 P00918 3/20 0.62
MMP8 P22894 8/20 0.60
MMP14 P50281 7/20 0.60
MMP9 P14780 4/20 0.60
CA14 Q9ULX7 5/20 0.56
FDFT1 P37268 1/20 0.51

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
SCHEMBL17187151 0.84 MMP2 (0.83) CA12CA9FDPSMMP2CA1
(Phenylamino)Methylenediphosphonic Acid SCHEMBL7796889 0.78 CA12 (1.00) CA12CA9FDPSMMP2CA1
SCHEMBL8159300 0.77 FDPS (1.00) CA12CA9FDPSMMP2CA1
SCHEMBL4088119 0.77 MMP2 (1.00) CA12CA9FDPSMMP2CA1
SCHEMBL8167824 0.76 FDPS (0.44) CA12CA9FDPSMMP2CA1
(P-Tolylamino)Methylenediphosphonic Acid SCHEMBL11570312 0.75 CA12 (1.00) CA12CA9FDPSMMP2CA1
SCHEMBL4088837 0.75 MMP2 (0.68) CA12CA9FDPSMMP2CA1
SCHEMBL17187031 0.72 MMP2 (0.76) CA12CA9FDPSMMP2CA1
SCHEMBL14241685 0.71 FDPS (0.50) FDPS
SCHEMBL335444 0.71 FDPS (0.50) FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0762883-B1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 2001-11-14 EP claimed
JP-54036273-A None JP disclosed
US-5583122-A TREATING DISEASES ASSOCIATED WITH ABNORMAL CALCIUM AND PHOSPHATE METABOLISM THE PROCTER & GAMBLE COMPANY (US) 1996-12-10 US disclosed
EP-0563107-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1993-10-06 EP disclosed
EP-0230068-B1 USE OF A GEMINAL DIPHOSPHONIC ACID COMPOUND TO PREPARE A MEDICAMENT Norwich Eaton Pharmaceuticals, Inc. (US) 1992-07-15 EP disclosed
WO-1992011269-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1992-07-09 WO disclosed
EP-0186405-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING GEMINAL DIPHOSPHONATES THE PROCTER & GAMBLE COMPANY (US) 1991-03-06 EP disclosed
US-4902679-A TREATING BONE DISORDERS NORWICH EATON PHARMACEUTICALS, INC. (US) 1990-02-20 US disclosed
EP-0186405-A2 Pharmaceutical compositions containing geminal diphosphonates THE PROCTER & GAMBLE COMPANY (US) 1986-07-02 EP disclosed
US-4447256-A POSTEMERGENCE HERBICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1984-05-08 US disclosed
JP-S5436273-A N-PYRIDYL-AMINOMETHYLENE DISULFONIC ACID DERIVATIVES NISSAN CHEM IND LTD 1979-03-16 JP disclosed
US-3957160-A Process for the prevention of precipitations in water or aqueous solutions HENKEL & CIE G.M.B.H. (DT) 1976-05-18 US disclosed