SCHEMBL3983260

SCHEMBL3983260

O=P(O)(O)C(Cn1cnc2c(Cl)ncnc21)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 1.00
HDAC6 Q9UBN7 2/20 0.53
P2RX7 Q99572 2/20 0.50
CYP3A4 P08684 1/20 0.48
FGFR1 P11362 7/20 0.46
FGFR4 P22455 7/20 0.46
GGPS1 O95749 3/20 0.46
P2RY1 P47900 1/20 0.44
DGAT1 O75907 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL3982080 0.82 FDPS (0.69) FDPSHDAC6P2RX7GGPS1P2RY1
SCHEMBL27921679 0.81 CYP3A4 (0.75) FDPSCYP3A4
SCHEMBL3981358 0.80 FDPS (0.67) FDPSHDAC6P2RX7CYP3A4FGFR1
SCHEMBL23323404 0.78 FDPS (0.63) FDPSHDAC6P2RX7FGFR1FGFR4
SCHEMBL11252936 0.78 ADORA2A (0.68) FDPSHDAC6P2RX7CYP3A4FGFR1
SCHEMBL3977299 0.77 FDPS (0.63) FDPSHDAC6P2RX7CYP3A4GGPS1
SCHEMBL9563452 0.76 FDPS (0.61) FDPSHDAC6P2RX7CYP3A4FGFR1
SCHEMBL11597681 0.76 FDPS (0.61) FDPSHDAC6P2RX7FGFR1FGFR4
SCHEMBL11596728 0.76 FDPS (0.61) FDPSHDAC6P2RX7FGFR1FGFR4
SCHEMBL11597828 0.75 FDPS (0.60) FDPSHDAC6P2RX7FGFR1FGFR4

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