SCHEMBL3982080

SCHEMBL3982080

O=P(O)(O)C(Cn1cnc2c(Cl)nc(Cl)nc21)P(=O)(O)O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.69
P2RY1 P47900 4/20 0.55
P2RX7 Q99572 1/20 0.49
GGPS1 O95749 3/20 0.45
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL3983260 0.82 FDPS (1.00) FDPSP2RY1P2RX7GGPS1HDAC6
SCHEMBL183219 0.78 HDAC1 (0.50) FDPSP2RY1P2RX7HDAC4HDAC1
SCHEMBL3348188 0.78 P2RX7 (0.48) FDPSP2RY1P2RX7HDAC4HDAC1
SCHEMBL3984337 0.78 FDPS (0.51) FDPSP2RY1P2RX7GGPS1
SCHEMBL5161430 0.75 P2RX7 (0.46) FDPSP2RY1P2RX7HDAC1
SCHEMBL3980736 0.75 FDPS (0.54) FDPSP2RY1GGPS1
SCHEMBL11961126 0.73 P2RX7 (0.52) P2RY1P2RX7HDAC4HDAC1HDAC6
SCHEMBL12537292 0.73 P2RX7 (0.47) FDPSP2RY1P2RX7HDAC4HDAC1
SCHEMBL29444616 0.72 CDK1 (0.51) P2RX7HDAC4HDAC1HDAC6
SCHEMBL183244 0.72 CDK1 (0.51) P2RX7HDAC4HDAC1HDAC6

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
WO-2009056952-A1 GEMINAL BISPHOSPHONATES, THEIR PREPARATION AND THEIR USE IN THE FIELD OF ONCOLOGY TETRAPHARM S.R.L. (IT) 2009-05-07 WO claimed