SCHEMBL4885859

SCHEMBL4885859

NC1C(=O)N(O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 14/20 0.64
KYAT1 Q16773 2/20 0.51
KYAT3 Q6YP21 2/20 0.51
GOT1 P17174 1/20 0.51
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ANPEP P15144 2/20 0.37
IDO1 P14902 1/20 0.36

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
SCHEMBL22631177 0.79 AADAT (0.58) AADATKYAT1KYAT3GOT1KDM4E
SCHEMBL3779303 0.78 AADAT (1.00) AADATKYAT1KYAT3GOT1KDM4E
SCHEMBL16612984 0.78 AADAT (1.00) AADATKYAT1KYAT3GOT1KDM4E
SCHEMBL3786010 0.78 AADAT (1.00) AADATKYAT1KYAT3GOT1KDM4E
SCHEMBL5668062 0.78 AADAT (0.43) AADATKYAT1KYAT3GOT1KDM4E
Hydrochloric Acid SCHEMBL16612967 0.77 AADAT (0.97) AADATKYAT1KYAT3GOT1KDM4E
Hydrochloric Acid SCHEMBL16612968 0.77 AADAT (0.97) AADATKYAT1KYAT3GOT1KDM4E
Hydrochloric Acid SCHEMBL16612966 0.77 AADAT (0.97) AADATKYAT1KYAT3GOT1KDM4E
SCHEMBL5321137 0.76 AADAT (0.46) AADATKDM4EALDH1A1GAA
SCHEMBL31381632 0.76 AADAT (0.64) AADATKYAT1KYAT3GOT1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850287-B2 Means and methods for breaking noncovalent binding interactions between molecules HET NEDERLANDS KANKER INSTITUUT (NL) 2017-12-26 US disclosed
US-20170145060-A9 MEANS AND METHODS FOR BREAKING NONCOVALENT BINDING INTERACTIONS BETWEEN MOLECULES HET NEDERLANDS KANKER INSTITUUT (NL) 2017-05-25 US disclosed
US-20150246952-A1 MEANS AND METHODS FOR BREAKING NONCOVALENT BINDING INTERACTIONS BETWEEN MOLECULES HET NL KANKER INST (NL) 2015-09-03 US disclosed
US-9079941-B2 Means and methods for breaking noncovalent binding interactions between molecules HET NEDERLANDS KANKER INSTITUUT (NL) 2015-07-14 US disclosed
EP-1841791-B1 MEANS AND METHODS FOR BREAKING NONCOVALENT BINDING INTERACTIONS BETWEEN MOLECULES STICHTING NL KANKER INST (NL) 2012-12-19 EP disclosed
US-20080145378-A1 Means and Methods for Breaking Noncovalent Binding Interactions Between Molecules HET NEDERLANDS KANKER INSTITUUT (NL) 2008-06-19 US disclosed
EP-1841791-A2 MEANS AND METHODS FOR BREAKING NONCOVALENT BINDING INTERACTIONS BETWEEN MOLECULES Het Nederlands Kanker Instituut (NL) 2007-10-10 EP disclosed
WO-2006080837-A2 MEANS AND METHODS FOR BREAKING NONCOVALENT BINDING INTERACTIONS BETWEEN MOLECULES HET NEDERLANDS KANKER INSTITUUT (NL) 2006-08-03 WO disclosed
EP-1683808-A1 Means and methods for breaking noncovalent binding interactions between molecules Het Nederlands Kanker Instituut (NL) 2006-07-26 EP disclosed