SCHEMBL7793628

SCHEMBL7793628

COc1ccc(NC(P(=O)(O)O)P(=O)(O)O)nc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 14/20 0.60
FDFT1 P37268 3/20 0.60
MMP2 P08253 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
CA12 O43570 2/20 0.47
DEGS1 O15121 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7793579 0.80 KDM4E (0.43) FDPSFDFT1CA9CA12DEGS1
SCHEMBL20377227 0.79 FDPS (0.51) FDPSFDFT1
SCHEMBL7784532 0.77 FDPS (0.52) FDPSFDFT1MMP2CA9CA14
SCHEMBL7784742 0.77 FDPS (0.68) FDPSFDFT1MMP2CA9CA12
SCHEMBL15221716 0.76 HCAR3 (0.50) CA9CA14CA12DEGS1CA1
SCHEMBL4255981 0.76 FDPS (1.00) FDPSFDFT1MMP2CA9CA14
SCHEMBL8384527 0.76 FDPS (0.66) FDPSFDFT1MMP2CA9CA12
SCHEMBL15163891 0.76 FDPS (1.00) FDPSFDFT1MMP2CA9CA14
SCHEMBL15165634 0.75 FDPS (1.00) FDPSMMP2CA9CA14CA12
SCHEMBL22365607 0.73 FDPS (0.62) FDPSFDFT1CA9CA12

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