SCHEMBL8167477

SCHEMBL8167477

Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 12/20 1.00
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 1/20 0.48
FDFT1 P37268 1/20 0.47
MAPT P10636 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 1/20 0.46
MMP8 P22894 1/20 0.46
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
CA9 Q16790 1/20 0.44

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
SCHEMBL8166397 0.88 FDPS (0.78) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL7790447 0.81 FDPS (0.69) FDPSNPC1RAB9ACA12CA1
SCHEMBL8165471 0.81 FDPS (0.68) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL15163986 0.80 FDPS (0.67) FDPSFDFT1CA12CA1MMP8
SCHEMBL8166679 0.77 FDPS (0.62) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL15163926 0.76 FDPS (0.61) FDPSCA12MMP8CA9
SCHEMBL19468554 0.76 FDPS (1.00) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL13794372 0.75 FDPS (0.60) FDPSNPC1RAB9AKDM4EL3MBTL1
SCHEMBL7793597 0.75 FDPS (0.60) FDPSNPC1RAB9AL3MBTL1KMT2A
SCHEMBL13562933 0.74 FDPS (0.59) FDPSNPC1RAB9AKDM4EL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563107-B1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 2000-05-03 EP claimed
EP-0563107-B1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 2000-05-03 EP disclosed
EP-0563107-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1993-10-06 EP disclosed
WO-1992011269-A1 NOVEL METHYLENEBISPHOSPHONIC ACID DERIVATIVES LEIRAS OY (FI) 1992-07-09 WO disclosed