SCHEMBL7790466

SCHEMBL7790466

O=P(O)(O)C(Nc1ncccc1OCc1ccccc1)P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPIA P62937 12/20 0.56
FDPS P14324 5/20 0.55
ALPG P10696 1/20 0.50
PTK2B Q14289 1/20 0.50
GRM5 P41594 1/20 0.48
LTA4H P09960 1/20 0.48
MAPK14 Q16539 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
SCHEMBL7793553 0.83 GRM5 (0.50) PPIAGRM5LTA4HMAPK14
SCHEMBL12794086 0.79 GRM5 (0.56) PPIAGRM5LTA4HMAPK14
SCHEMBL20377249 0.77 FDPS (0.56) PPIAFDPSPTK2BGRM5
SCHEMBL8812159 0.74 PPIA (0.54) PPIAGRM5
SCHEMBL2655744 0.74 LTA4H (0.63) PPIAGRM5LTA4HMAPK14
SCHEMBL14647654 0.74 GRM5 (0.60) PPIAGRM5LTA4HMAPK14
SCHEMBL10424550 0.74 PPIA (0.74) PPIA
SCHEMBL8032303 0.73 PPIA (0.59) PPIAGRM5LTA4HMAPK14
SCHEMBL20604564 0.73 PPIA (0.59) PPIAGRM5LTA4HMAPK14
SCHEMBL15163926 0.73 FDPS (0.61) 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 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