SCHEMBL7011289

SCHEMBL7011289

O=C1[N]c2nc[nH]c2C(=O)N1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATIC P31939 1/20 0.36
GDA Q9Y2T3 2/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PARP1 P09874 2/20 0.31
PDPK1 O15530 1/20 0.31
CA12 O43570 1/20 0.31
ALOX15 P16050 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA9 Q16790 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31

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
SCHEMBL18050892 0.67 ALDH1A1 (0.44) ATICGDAALDH1A1POLBRXFP1
SCHEMBL662729 0.67 GDA (0.40) ATICGDAALDH1A1POLBRXFP1
SCHEMBL8011952 0.65 GDA (0.38) ATICGDAALDH1A1POLBRXFP1
SCHEMBL4748766 0.64 ALDH1A1 (0.31) ATICALDH1A1POLBRXFP1
SCHEMBL13771834 0.61 ATIC (0.47) ATICGDAALDH1A1POLBRXFP1
SCHEMBL8310812 0.61 ATIC (0.35) ATICGDAALDH1A1POLBRXFP1
SCHEMBL1338837 0.60 ALDH1A1 (0.31) ATICALDH1A1POLBRXFP1
SCHEMBL8009805 0.60 ATIC (0.34) ATICGDAALDH1A1POLBRXFP1
SCHEMBL8310124 0.59 GDA (0.36) ATICGDAALDH1A1POLBRXFP1
SCHEMBL7770851 0.59 ATIC (0.33) ATICGDAALDH1A1POLBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060463-A Treatment of conditions of abnormally increased intraocular pressure by administration of phosphonylmethoxyalkyl nucleoside analogs and related nucleoside analogs Freeman, William (US) 2000-05-09 US claimed
US-5869468-A Treatment of conditions of abnormally increased intraocular pressure by administration of phosphonylmethoxyalkyl nucleoside analogs and related nucleoside analogs FREEMAN WILLIAM R (US) 1999-02-09 US claimed
EP-0754046-A1 USE OF PHOSPHONYLMETHOXYALKYL NUCLEOSIDES FOR THE TREATMENT OF RAISED INTRAOCULAR PRESSURE FREEMAN, William R. (US) 1997-01-22 EP claimed
WO-1995026734-A1 USE OF PHOSPHONYLMETHOXYALKYL NUCLEOSIDES FOR THE TREATMENT OF RAISED INTRAOCULAR PRESSURE FREEMAN WILLIAM R (US) 1995-10-12 WO claimed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
US-6060463-A Treatment of conditions of abnormally increased intraocular pressure by administration of phosphonylmethoxyalkyl nucleoside analogs and related nucleoside analogs Freeman, William (US) 2000-05-09 US disclosed
US-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0754046-A1 USE OF PHOSPHONYLMETHOXYALKYL NUCLEOSIDES FOR THE TREATMENT OF RAISED INTRAOCULAR PRESSURE FREEMAN, William R. (US) 1997-01-22 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed
WO-1995026734-A1 USE OF PHOSPHONYLMETHOXYALKYL NUCLEOSIDES FOR THE TREATMENT OF RAISED INTRAOCULAR PRESSURE FREEMAN WILLIAM R (US) 1995-10-12 WO disclosed
US-4689321-A CYTOLYSIS, ANTITUMOR, ANTICARCINOGENIC THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1987-08-25 US disclosed