SCHEMBL8928244

SCHEMBL8928244

NCCNc1ccc(P(=O)(O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA5A P35218 1/20 0.45
LMNA P02545 1/20 0.38
IDO1 P14902 2/20 0.36
PRSS1 P07477 7/20 0.35
TNIK Q9UKE5 1/20 0.35
MAPT P10636 2/20 0.34
F2 P00734 2/20 0.34
PRSS2 P07478 2/20 0.34
PRSS3 P35030 2/20 0.34
TMPRSS6 Q8IU80 2/20 0.34
ST14 Q9Y5Y6 2/20 0.34
ENPP1 P22413 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 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
Bromide SCHEMBL8920602 0.81 PRSS1 (0.46) CA2CA4CA5ALMNAPRSS1
SCHEMBL21389886 0.81 LMNA (0.46) CA2CA4CA5ALMNAIDO1
SCHEMBL21389887 0.78 SCN5A (0.47) CA2CA4CA5ALMNAGAA
SCHEMBL157472 0.73 CA2 (0.50) CA2CA4CA5ALMNA
SCHEMBL5265160 0.73 APP (0.53) CA2IDO1PRSS1MAPTGAA
SCHEMBL17362396 0.73 CA2 (0.54) CA2CA4CA5ALMNAIDO1
Phenylphosphonic Acid SCHEMBL8928242 0.73 CA2 (0.76) CA2CA4CA5ALMNAMAPT
SCHEMBL22493090 0.72 HDAC6 (0.56) IDO1
Hydrochloric Acid SCHEMBL28710007 0.71 APP (0.52) CA2IDO1PRSS1MAPTGAA
SCHEMBL2171752 0.71 CA2 (0.71) CA2CA4CA5ALMNAGAA

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
JP-9255693-A None JP disclosed
JP-H09255693-A ETHYLENEDIAMINE-PHENYLPHOSPHONIC ACID SALT, ITS PRODUCTION AND FLAME-RETARDANT RESIN COMPOSITION COMPOUNDED WITH THE SAME TOSOH CORP 1997-09-30 JP disclosed