SCHEMBL7793597

SCHEMBL7793597

O=[N+]([O-])c1cccnc1NC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.60
CA1 P00915 3/20 0.48
MMP2 P08253 3/20 0.48
CA14 Q9ULX7 1/20 0.48
CA12 O43570 2/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP14 P50281 1/20 0.48
MAPT P10636 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 2/20 0.47
PKM P14618 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7784728 0.80 NPC1 (0.49) FDPSCA1CA12MAPTRAB9A
SCHEMBL12890441 0.78 KMT2A (0.52) MAPTRAB9ANPC1PKMALDH1A1
SCHEMBL7790447 0.76 FDPS (0.69) FDPSCA1MMP2CA12RAB9A
SCHEMBL7697932 0.76 MAPT (0.51) MAPTRAB9ANPC1PKMALDH1A1
SCHEMBL11016312 0.76 MEN1 (0.63) MAPTRAB9ANPC1PKMALDH1A1
SCHEMBL16721275 0.75 MAPT (0.50) MAPTRAB9ANPC1PKMALDH1A1
SCHEMBL16721273 0.75 MAPT (0.50) MAPTRAB9ANPC1PKMALDH1A1
SCHEMBL31477687 0.75 KMT2A (0.52) MAPTRAB9ANPC1PKMALDH1A1
SCHEMBL1669347 0.75 KMT2A (0.52) MAPTRAB9ANPC1PKMALDH1A1
SCHEMBL1669351 0.75 KMT2A (0.52) MAPTRAB9ANPC1PKMALDH1A1

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