SCHEMBL8949644

SCHEMBL8949644

O=P(O)(O)P(=O)(OCNc1ccccc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 1/20 0.36
PTPN5 P54829 1/20 0.34
DGAT1 O75907 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTPRC P08575 1/20 0.33
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.33
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL28237020 0.79 NPSR1 (0.44) NPSR1MAPTALDH1A1CA12CA9
SCHEMBL29025199 0.69 MAPT (0.47) NPSR1MAPTALDH1A1CA12CA9
SCHEMBL8949893 0.68 CA9 (0.40) NPSR1MAPTALDH1A1CA12CA9
SCHEMBL1297642 0.67 ALDH1A1 (0.53) NPSR1MAPTALDH1A1CA12CA9
SCHEMBL9138295 0.65 CA9 (0.52) NPSR1MAPTALDH1A1CA12CA9
Phosphoric Acid SCHEMBL29169622 0.65 ALDH1A1 (0.50) PTPN1MAPTALDH1A1CA12CA9
SCHEMBL28064849 0.65 MAPT (0.40) NPSR1MAPTALDH1A1CA12CA9
SCHEMBL5572988 0.65 ALDH1A1 (0.50) NPSR1MAPTALDH1A1S1PR2S1PR4
SCHEMBL29740904 0.65 ALDH1A1 (0.50) NPSR1MAPTALDH1A1S1PR2S1PR4
SCHEMBL8949636 0.65 TSHR (0.50) PTPN1CA12CA9TSHRPTPN5

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
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