SCHEMBL8548924

SCHEMBL8548924

CC(C)C(C)(NC(=O)c1ncc(C2OCCO2)cc1C(=O)O)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL10410349 0.82 CNR2 (0.36) CNR2KDM4EALDH1A1
SCHEMBL10410155 0.77 CNR2 (0.37) CNR2KDM4EALDH1A1
SCHEMBL2338995 0.76 CNR2 (0.36) CNR2KDM4EALDH1A1
SCHEMBL20180706 0.75 CNR2 (0.38) CNR2KDM4EALDH1A1
SCHEMBL8544532 0.75 KDM4E (0.40) KDM4EALDH1A1
SCHEMBL10583284 0.74 CNR2 (0.35) CNR2KDM4EALDH1A1
SCHEMBL9156369 0.74 KDM4E (0.49) CNR2KDM4EALDH1A1
SCHEMBL9218122 0.74 F2 (0.35) CNR2KDM4EALDH1A1
SCHEMBL9724759 0.74 SMN1; SMN2 (0.35) KDM4EALDH1A1
SCHEMBL10411507 0.71 CNR2 (0.37) CNR2KDM4EALDH1A1

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
EP-0434965-B1 Alkyl esters of 5-heterocyclic-pyridine-2,3-dicarboxylic acids and 5-heterocyclic 2-(2-imidazolin-2-yl) pyridines and methods for preparation thereof AMERICAN CYANAMID CO (US) 1998-05-20 EP disclosed
US-5405827-A 5-heterocyclic 2-(2-imidazolin-2-yl)pyridines, useful as herbicidal agents AMERICAN CYANAMID COMPANY (US) 1995-04-11 US disclosed
US-5344935-A Intermediates for herbicides AMERICAN CYANAMID COMPANY (US) 1994-09-06 US disclosed
US-5283230-A Pre- and post-emergence herbicides AMERICAN CYANAMID COMPANY (US) 1994-02-01 US disclosed
US-5239070-A Herbicide intermediates AMERICAN CYANAMID COMPANY (US) 1993-08-24 US disclosed
US-5225564-A Acetalization, amination or sulfiding in a solvent AMERICAN CYANAMID COMPANY (US) 1993-07-06 US disclosed
US-5039333-A 5-heterocyclic 2-(2-imidazolin-2-yl)pyridines, useful as herbicidal agents AMERICAN CYANAMID COMPANY 1991-08-13 US disclosed
EP-0434965-A2 Alkyl esters of 5-heterocyclic-pyridine-2,3-dicarboxylic acids and 5-heterocyclic 2-(2-imidazolin-2-yl) pyridines and methods for preparation thereof AMERICAN CYANAMID COMPANY (US) 1991-07-03 EP disclosed
US-5026859-A Intermediates for herbicides AMERICAN CYANAMID COMPANY (US) 1991-06-25 US disclosed