SCHEMBL2985617

SCHEMBL2985617

O=C(O)CN(CP(=O)(O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
CFTR P13569 1/20 0.35
SRC P12931 1/20 0.35
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34

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
SCHEMBL9314442 0.86 NPSR1 (0.44) NPSR1ALDH1A1KMT2AMEN1HTT
SCHEMBL2985103 0.86 CA2 (0.37) TDP1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL14241686 0.84 BCHE (0.37) KMT2AHTTKDM4E
SCHEMBL9315578 0.82 NPSR1 (0.39) NPSR1ALDH1A1TSHR
SCHEMBL202173 0.82 TDP1 (0.50) NPSR1TDP1ALDH1A1KMT2AMEN1
SCHEMBL9313842 0.79 TSHR (0.50) TDP1ALDH1A1KMT2AMEN1HTT
SCHEMBL547411 0.78 TDP1 (0.47) NPSR1TDP1ALDH1A1KMT2AMEN1
SCHEMBL11729646 0.78 TDP1 (0.47) NPSR1TDP1ALDH1A1KMT2AMEN1
SCHEMBL9315590 0.78 TSHR (0.53) ALDH1A1KMT2AHTTKDM4ENPC1
Hydrochloric Acid SCHEMBL9314513 0.78 TSHR (0.48) TDP1ALDH1A1KMT2AMEN1HTT

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 29 patents — showing the first 20. 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-5216003-A Antihypoxic, antiischemic agents G. D. SEARLE & CO. (US) 1993-06-01 US disclosed
US-4840659-A HERBICIDES MONSANTO COMPANY (US) 1989-06-20 US disclosed
US-4659860-A PHYTOTOXICANTS, HERBICIDES MONSANTO COMPANY (US) 1987-04-21 US disclosed
US-4495363-A HERBICIDES-PHYTOTOXICANTS MONSANTO CO. (US) 1985-01-22 US disclosed
US-4405531-A HERBICIDES, PHYTOTOXICITY MONSANTO COMPANY (US) 1983-09-20 US disclosed
US-3977860-A PHYTOTOXICANTS MONSANTO COMPANY (US) 1976-08-31 US disclosed