SCHEMBL10694098

SCHEMBL10694098

O=P(O)(O)C1(P(=O)(O)O)C=Cc2cccnc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.34
P2RX7 Q99572 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
DAO P14920 1/20 0.30

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
SCHEMBL30008586 0.68 L3MBTL1 (0.35) CA12CA1CA2CA9
SCHEMBL8237320 0.62 HTR2C (0.41)
SCHEMBL13330639 0.62 MMP2 (0.31)
SCHEMBL3359002 0.61 P2RX7 (0.46) FDPSP2RX7
Methane SCHEMBL28929550 0.60 POLB (0.31)
Phosphoric Acid SCHEMBL28528859 0.60 ALDH1A1 (0.50) FDPSDAO
SCHEMBL18572160 0.59 CA12 (0.38) CA12CA1CA2CA9
SCHEMBL2595451 0.59 TDP1 (0.43) FDPSCA2
Phosphoric Acid SCHEMBL27914386 0.59 FDPS (0.47) FDPSP2RX7CA2
SCHEMBL31520298 0.59

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-0273514-A1 Novel bicyclic diphosphonate compounds and pharmaceutical compositions Norwich Eaton Pharmaceuticals, Inc. (US) 1988-07-06 EP disclosed