SCHEMBL7790656

SCHEMBL7790656

O=P(O)(O)C(Nc1ccc(O)nc1)P(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.68
MMP2 P08253 9/20 0.59
CA12 O43570 7/20 0.59
CA1 P00915 4/20 0.59
CA2 P00918 3/20 0.59
FDPS P14324 4/20 0.56
MMP8 P22894 8/20 0.53
MMP14 P50281 7/20 0.53
MMP9 P14780 4/20 0.53
CA14 Q9ULX7 5/20 0.53
CA9 Q16790 4/20 0.52

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
SCHEMBL7794868 0.81 FDFT1 (0.66) FDFT1MMP2CA12CA1CA2
SCHEMBL17187151 0.78 MMP2 (0.83) FDFT1MMP2CA12CA1CA2
SCHEMBL7790660 0.77 FDFT1 (0.65) FDFT1MMP2CA12CA1CA2
SCHEMBL7793634 0.77 FDFT1 (0.42) FDFT1CA12CA1CA2CA9
SCHEMBL4088119 0.75 MMP2 (1.00) FDFT1MMP2CA12CA1CA2
SCHEMBL8159300 0.71 FDPS (1.00) FDFT1MMP2CA12CA1CA2
SCHEMBL4816245 0.70 CA1 (0.36) FDFT1CA12CA1CA2CA14
SCHEMBL4088837 0.69 MMP2 (0.68) FDFT1MMP2CA12CA1CA2
(P-Tolylamino)Methylenediphosphonic Acid SCHEMBL11570312 0.69 CA12 (1.00) FDFT1MMP2CA12CA1CA2
SCHEMBL7790457 0.69 CA12 (0.64) FDFT1MMP2CA12CA1CA2

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
EP-0762883-B1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 2001-11-14 EP claimed