SCHEMBL81704

SCHEMBL81704

C=C(C)C(=O)NCCCN=C=S

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 16/20 0.58
NFE2L2 Q16236 16/20 0.58
MIF P14174 3/20 0.37
NAAA Q02083 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
BACH1 O14867 1/20 0.37
MAFK O60675 1/20 0.37
EGFR P00533 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL33517 0.84 KEAP1 (0.40) KEAP1NFE2L2
SCHEMBL465655 0.79 KEAP1 (0.42) KEAP1NFE2L2
SCHEMBL19998248 0.78 KDM4E (0.37) KEAP1NFE2L2
SCHEMBL16803277 0.78 KDM4E (0.37) KEAP1NFE2L2
SCHEMBL19988824 0.78 KEAP1 (0.41) KEAP1NFE2L2ALDH1A1
SCHEMBL907569 0.77 KDM4E (0.52) ALDH1A1
SCHEMBL632876 0.77 KDM4E (0.46) ALDH1A1
SCHEMBL14865406 0.77 KDM4E (0.35) KEAP1NFE2L2
SCHEMBL13624926 0.75 KEAP1 (0.62) KEAP1NFE2L2MIFNAAA
SCHEMBL59429 0.75 KDM4E (0.56) ALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129159-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2012-03-06 US disclosed
US-8129159-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2012-03-06 US disclosed
US-8129159-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2012-03-06 US disclosed
US-20120010707-A1 METHODS AND REAGENTS FOR PREPARING BIOMOLECULE-CONTAINING COATINGS Surmodics Coatings, LLC 2012-01-12 US disclosed
US-20110009292-A1 ATTACHMENT OF MOLECULES TO SURFACES SURMODICS, INC. (US) 2011-01-13 US disclosed
US-20110009292-A1 ATTACHMENT OF MOLECULES TO SURFACES SURMODICS, INC. (US) 2011-01-13 US disclosed
US-20110009292-A1 ATTACHMENT OF MOLECULES TO SURFACES SURMODICS, INC. (US) 2011-01-13 US disclosed
US-7829317-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2010-11-09 US disclosed
US-7829317-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2010-11-09 US disclosed
US-7829317-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2010-11-09 US disclosed
US-20090042742-A1 Attachment of molecules to surfaces SURMODICS, INC. (US) 2009-02-12 US disclosed
US-20090042742-A1 Attachment of molecules to surfaces SURMODICS, INC. (US) 2009-02-12 US disclosed
US-7309593-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2007-12-18 US disclosed
US-7309593-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2007-12-18 US disclosed
US-7309593-B2 Attachment of molecules to surfaces SURMODICS, INC. (US) 2007-12-18 US disclosed
EP-1668050-A2 ATTACHMENT OF MOLECULES TO SURFACES SurModics, Inc. (US) 2006-06-14 EP disclosed
US-20050281857-A1 Methods and reagents for preparing biomolecule-containing coatings Surmodics Coatings, LLC 2005-12-22 US disclosed
WO-2005115490-A2 NATURAL BIODEGRADABLE POLYSACCHARIDE COATINGS FOR MEICAL ARTICLES SURMODICS, INC. (US) 2005-12-08 WO disclosed
WO-2005033158-A2 ATTACHMENT OF MOLECULES TO SURFACES SURMODICS, INC. (US) 2005-04-14 WO disclosed
US-20050074478-A1 Attachment of molecules to surfaces SURMODICS, INC. (US) 2005-04-07 US disclosed