SCHEMBL3976006

SCHEMBL3976006

O=P(O)(O)C(Cn1cnc2cncnc21)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 1.00
GGPS1 O95749 3/20 0.54
HDAC1 Q13547 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
LTA4H P09960 1/20 0.39
CYP3A4 P08684 2/20 0.38
DNMT3B Q9UBC3 1/20 0.36
P2RY1 P47900 3/20 0.35
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HBB P68871 1/20 0.33
KMT2A Q03164 1/20 0.33
HPRT1 P00492 1/20 0.33

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
SCHEMBL8525122 0.80 FDPS (0.67) FDPSHDAC1HDAC6CYP3A4
SCHEMBL8525119 0.80 FDPS (0.67) FDPSHDAC1HDAC6CYP3A4
SCHEMBL3978533 0.80 FDPS (0.66) FDPSGGPS1HDAC1HDAC6LTA4H
SCHEMBL3044440 0.77 FDPS (0.63) FDPSHDAC1HDAC6LTA4HCYP3A4
SCHEMBL28153339 0.77 FDPS (0.62) FDPSHDAC1HDAC6LTA4HDNMT3B
SCHEMBL4262821 0.77 FDPS (0.62) FDPSGGPS1HDAC1HDAC6LTA4H
SCHEMBL13044680 0.76 FDPS (0.61) FDPSHDAC1HDAC6LTA4HCYP3A4
SCHEMBL7142262 0.76 FDPS (0.61) FDPSHDAC1HDAC6LTA4HALDH1A1
Hydrochloric Acid SCHEMBL28485022 0.76 FDPS (0.61) FDPSHDAC1HDAC6LTA4HDNMT3B
SCHEMBL5323130 0.75 FDPS (0.60) FDPSHDAC1HDAC6LTA4HCYP3A4

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