SCHEMBL7794868

SCHEMBL7794868

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

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.66
MMP8 P22894 5/20 0.60
MMP14 P50281 4/20 0.60
CA14 Q9ULX7 3/20 0.60
CA12 O43570 6/20 0.56
MMP2 P08253 6/20 0.56
FDPS P14324 2/20 0.54
CA1 P00915 3/20 0.53
CA2 P00918 2/20 0.53
MMP9 P14780 2/20 0.51
CA9 Q16790 2/20 0.51
KCNQ3 O43525 4/20 0.48
KCNQ2 O43526 4/20 0.48
KCNE1 P15382 3/20 0.48
KCNQ1 P51787 3/20 0.48
BACE1 P56817 1/20 0.46

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
SCHEMBL7784731 0.83 FDFT1 (0.50) FDFT1MMP8MMP14CA14CA12
SCHEMBL7790656 0.81 FDFT1 (0.68) FDFT1MMP8MMP14CA14CA12
SCHEMBL17187151 0.77 MMP2 (0.83) FDFT1MMP8MMP14CA14CA12
SCHEMBL7794281 0.76 KCNQ3 (0.47) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL7790660 0.76 FDFT1 (0.65) FDFT1MMP8MMP14CA14CA12
SCHEMBL7793613 0.75 L3MBTL1 (0.45) FDFT1CA12CA1CA2CA9
SCHEMBL3824428 0.72 KCNQ3 (0.42) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL8159300 0.70 FDPS (1.00) FDFT1MMP8MMP14CA14CA12
SCHEMBL7794284 0.70 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL4088119 0.70 MMP2 (1.00) FDFT1MMP8MMP14CA14CA12

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