SCHEMBL7790447

SCHEMBL7790447

O=P(O)(O)C(Nc1ncccc1O)P(=O)(O)O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 15/20 0.69
CA12 O43570 2/20 0.46
CA9 Q16790 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MMP2 P08253 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NR0B1 P51843 1/20 0.42

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
SCHEMBL15163986 0.81 FDPS (0.67) FDPSCA12CA9CA1MMP2
SCHEMBL8167477 0.81 FDPS (1.00) FDPSCA12CA9CA1NPC1
SCHEMBL15163926 0.78 FDPS (0.61) FDPSCA12CA9CA2MMP2
SCHEMBL5155756 0.77 FDPS (0.47) FDPSNPC1RAB9ANR0B1
SCHEMBL7793597 0.76 FDPS (0.60) FDPSCA12CA1MMP2NPC1
SCHEMBL104084 0.74 IDO1 (0.51) FDPSMMP2NPC1RAB9ANR0B1
SCHEMBL7797073 0.74 FDPS (0.61) FDPSCA12CA9
SCHEMBL7790466 0.72 PPIA (0.56) FDPS
SCHEMBL5156538 0.71 FDPS (1.00) FDPSCA12CA9NPC1RAB9A
SCHEMBL7790669 0.71 FDPS (0.54) FDPSCA12CA9CA1CA2

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