SCHEMBL92951

SCHEMBL92951

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 16/20 0.60
NFE2L2 Q16236 16/20 0.60
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
MIF P14174 2/20 0.38
NAAA Q02083 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
BACH1 O14867 1/20 0.38
MAFK O60675 1/20 0.38
EGFR P00533 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL19998245 0.77 ALDH1A2 (0.46) KEAP1NFE2L2CYP2D6CYP2C9CYP2C19
SCHEMBL12948853 0.77 KMT2A (0.47) KEAP1NFE2L2CYP2D6CYP2C9CYP2C19
SCHEMBL13624926 0.76 KEAP1 (0.62) KEAP1NFE2L2KMT2AMIFNAAA
SCHEMBL22917014 0.76 KMT2A (0.57) CYP2D6CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL861034 0.76 KMT2A (0.57) CYP2D6CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL23839910 0.74 ALDH1A1 (0.58) CYP2D6CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL23188735 0.74 ALDH1A1 (0.58) CYP2D6CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL17777241 0.74 ALDH1A1 (0.58) CYP2D6CYP2C9CYP2C19KMT2AALDH1A1
SCHEMBL81704 0.74 KEAP1 (0.58) KEAP1NFE2L2MIFNAAAALDH1A1
SCHEMBL17680116 0.73 CYP2C19 (0.44) CYP2D6CYP2C9CYP2C19KMT2AALDH1A1

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 5 patents. 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-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-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