SCHEMBL8949983

SCHEMBL8949983

CNc1cccnc1.CP(=O)(O)P(=O)(O)O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.54
LMNA P02545 2/20 0.47
HIF1A Q16665 1/20 0.47
NAMPT P43490 5/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 4/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 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
SCHEMBL84647 0.83
SCHEMBL30212452 0.83
Iodide SCHEMBL3384560 0.81
Hydrochloric Acid SCHEMBL7170102 0.81
Ammonia Solution, Strong SCHEMBL7984432 0.81
Hydrochloric Acid SCHEMBL5753035 0.81 RAB9A (0.47) FDPSLMNAHIF1ANAMPTRAB9A
Nitrous Acid SCHEMBL3384483 0.80 TP53 (0.53) FDPSLMNAHIF1ANAMPTRAB9A
Acetic Acid SCHEMBL28856321 0.80 NPC1 (0.58) LMNAHIF1ANAMPTRAB9ANPC1
Phosphonic Acid SCHEMBL9074395 0.80 RAB9A (0.49) FDPSLMNAHIF1ANAMPTRAB9A
SCHEMBL8949926 0.78 FDPS (0.44) FDPSLMNAKMT2AALDH1A1KDM4E

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