SCHEMBL2985752

SCHEMBL2985752

O=C(O)C(Cc1c[nH]c2ccccc12)N(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
APAF1 O14727 1/20 0.56
POLB P06746 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
MPO P05164 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
HIF1A Q16665 1/20 0.56
ITGB2 P05107 4/20 0.51
ICAM1 P05362 4/20 0.51
ITGAL P20701 4/20 0.51
ALOX15 P16050 1/20 0.51
DNMT1 P26358 3/20 0.50

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
SCHEMBL2985756 1.00 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL3097788 0.89 KDM4E (0.52) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL3097777 0.89 KDM4E (0.52) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL2987309 0.88 CDK4 (0.49) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL6428126 0.86 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL12222321 0.86 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL30078422 0.83 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL30735894 0.83 KDM4E (0.64) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL3218485 0.82 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EMAPTKMT2AAPAF1
SCHEMBL22654031 0.82 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EMAPTKMT2AAPAF1

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
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
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
EP-1979366-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE Yu, Ruey J. (US) 2008-10-15 EP disclosed
US-7429575-B2 N-(phosphonoalkyl)-amino acids, derivatives thereof and compositions and methods of use YU RUEY J 2008-09-30 US disclosed
WO-2007082206-A2 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J (US) 2007-07-19 WO disclosed
US-20070161543-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2007-07-12 US disclosed