SCHEMBL8949858

SCHEMBL8949858

CNc1ncccn1.CP(=O)(O)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.42
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
GLA P06280 1/20 0.35
ALDH1A1 P00352 2/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
GRM5 P41594 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL676888 0.79
SCHEMBL8949794 0.77 FDPS (0.53) FDPSLMNAHTTKDM4EGAA
Hydrochloric Acid SCHEMBL27939884 0.77
Phosphine SCHEMBL28106108 0.77
Acetic Acid SCHEMBL536417 0.76 LMNA (0.50) LMNAHTTGLAALDH1A1P2RX7
Phosphonic Acid SCHEMBL7797074 0.76 LMNA (0.41) FDPSLMNAHTTGLAALDH1A1
SCHEMBL8949926 0.69 FDPS (0.44) FDPSLMNAHTTALDH1A1KDM4E
SCHEMBL9070582 0.69 LMNA (0.36) FDPSLMNAHTTGLAALDH1A1
SCHEMBL8949983 0.68 FDPS (0.54) FDPSLMNAALDH1A1KDM4ENPC1
SCHEMBL8949885 0.68 TSHR (0.61) FDPSALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5574024-A Methylene phosphonoalkylphosphinates, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism EBETINO FRANK H (US) 1996-11-12 US disclosed
EP-0298553-B1 METHYLENE PHOSPHONOALKYLPHOSPHINATES, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM Norwich Eaton Pharmaceuticals, Inc. (US) 1992-01-15 EP disclosed
EP-0298553-A1 Methylene phosphonoalkylphosphinates, pharmaceutical compositions, and methods for treating abnormal calcium and phosphate metabolism Norwich Eaton Pharmaceuticals, Inc. (US) 1989-01-11 EP disclosed