SCHEMBL2989552

SCHEMBL2989552

N=C(N)N(CCC(=O)O)CP(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.33
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NAALAD2 Q9Y3Q0 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
PRSS1 P07477 1/20 0.30
TMPRSS15 P98073 1/20 0.30

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
SCHEMBL2984354 0.89 FOLH1 (0.35) FOLH1ALDH1A1MEN1LMNAHPGD
SCHEMBL2988195 0.85 TDP1 (0.34) MEN1LMNAHPGDTSHRBLM
SCHEMBL3094119 0.79
SCHEMBL3106185 0.77 MEN1 (0.38) ALDH1A1ALDH2MEN1TSHRKMT2A
SCHEMBL2989604 0.76 ALDH1A1 (0.30) FOLH1ALDH1A1ALDH2
SCHEMBL9389653 0.73 FOLH1 (0.31) FOLH1MEN1LMNAHPGDTSHR
SCHEMBL2991021 0.72 NOS3 (0.35) MEN1KMT2A
Phosphoric Acid SCHEMBL9074636 0.72 NOS3 (0.46) ITGB3ITGA2B
SCHEMBL2992737 0.71 FOLH1 (0.40) FOLH1MEN1LMNAHPGDTSHR
SCHEMBL3091752 0.69 ALOX15 (0.34) MEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7776844-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2010-08-17 US claimed
US-20090208499-A1 N-(Phosphonoalkyl)-Amino Acids, Derivatives Thereof and Compositions and Methods of Use YU RUEY J 2009-08-20 US claimed
US-7572776-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2009-08-11 US claimed
JP-2009526755-A 2009-07-23 JP claimed
US-20080306025-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2008-12-11 US claimed
EP-1979366-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE Yu, Ruey J. (US) 2008-10-15 EP claimed
US-7429575-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2008-09-30 US claimed
WO-2007082206-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J (US) 2007-07-19 WO claimed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US claimed
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US disclosed
US-7776844-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2010-08-17 US disclosed
US-20090208499-A1 N-(Phosphonoalkyl)-Amino Acids, Derivatives Thereof and Compositions and Methods of Use YU RUEY J 2009-08-20 US disclosed
US-7572776-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2009-08-11 US disclosed
US-20080306025-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2008-12-11 US disclosed
US-7429575-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2008-09-30 US disclosed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US disclosed