SCHEMBL8949794

SCHEMBL8949794

CNc1ccccn1.CP(=O)(O)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.53
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
PKM P14618 2/20 0.47
GAA P10253 3/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GRM5 P41594 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
F2 P00734 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSP90AA1 P07900 1/20 0.42

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
Methyl Alcohol SCHEMBL28319739 0.84 NPC1 (0.56) FDPSRAB9ANPC1PKMGAA
SCHEMBL22421 0.82
SCHEMBL29520109 0.82
Phosphoric Acid SCHEMBL623804 0.81 KDM4E (0.49) FDPSRAB9ANPC1PKMGAA
Phosphoric Acid SCHEMBL623805 0.81 KDM4E (0.49) FDPSRAB9ANPC1PKMGAA
Water SCHEMBL8859982 0.80
Ammonia Solution, Strong SCHEMBL27638312 0.80
Hydrochloric Acid SCHEMBL7383830 0.80
Hydrochloric Acid SCHEMBL5903557 0.80 MEN1 (0.54) RAB9ANPC1PKMGAALMNA
Phosphonic Acid SCHEMBL9074513 0.79 NPC1 (0.52) FDPSRAB9ANPC1PKMGAA

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