SCHEMBL3077634

SCHEMBL3077634

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
EPOR P19235 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
PAM P19021 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3085607 0.88 ESRRG (0.33) ALDH1A1KDM4EPOLBKMT2ATSHR
SCHEMBL13680106 0.76 TDP1 (0.42) TDP1ALDH1A1NPSR1NPC1POLB
SCHEMBL202173 0.75 TDP1 (0.50) TDP1ALDH1A1NPSR1NPC1POLB
SCHEMBL11266811 0.75 RAB9A (0.43) TDP1ALDH1A1KDM4ENPSR1POLB
SCHEMBL2985617 0.75 NPSR1 (0.42) TDP1ALDH1A1KDM4EUSP2NPSR1
SCHEMBL3212653 0.74 TDP1 (0.42) TDP1EPORKDM4EKMT2ATSHR
SCHEMBL7559996 0.74 TDP1 (0.42) TDP1EPORKDM4EKMT2ATSHR
SCHEMBL547411 0.72 TDP1 (0.47) TDP1ALDH1A1NPSR1NPC1POLB
SCHEMBL11729646 0.72 TDP1 (0.47) TDP1ALDH1A1NPSR1NPC1POLB
Allylamine SCHEMBL11354244 0.70 RAB9A (0.40) TDP1ALDH1A1KDM4EHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5385895-A Nervous system disorders, anticonvulsants, analgesics CORDI ALEXIS A (US) 1995-01-31 US disclosed
US-5177240-A Treatment to reduce neurotoxic injury G. D. SEARLE & CO. (US) 1993-01-05 US disclosed
US-4997821-A Phosphono-hydroisoquinoline compounds useful in reducing neurotoxic injury G.D. SEARLE & CO. 1991-03-05 US disclosed
EP-0364996-A2 Phosphono-hydroisoquinoline compounds useful in reducing neurotoxic injury G.D. Searle & Co. (US) 1990-04-25 EP disclosed