SCHEMBL13624926

SCHEMBL13624926

CCC(=O)NCCCN=C=S

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 13/20 0.62
NFE2L2 Q16236 13/20 0.62
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NAAA Q02083 1/20 0.44
MIF P14174 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL92951 0.76 KEAP1 (0.60) KEAP1NFE2L2KMT2ANAAAMIF
SCHEMBL81704 0.75 KEAP1 (0.58) KEAP1NFE2L2NAAAMIF
SCHEMBL17229157 0.75 MEN1 (1.00) MEN1KMT2ANAAARECQL
SCHEMBL10101148 0.75 MEN1 (0.89) MEN1KMT2ANAAARECQL
SCHEMBL6476918 0.73 KEAP1 (0.66) KEAP1NFE2L2NAAAMIF
SCHEMBL17274366 0.73 FAAH (0.56) KEAP1NFE2L2NAAA
SCHEMBL4394729 0.73 KEAP1 (0.55) KEAP1NFE2L2MEN1KMT2A
SCHEMBL9259257 0.73 MEN1 (0.94) MEN1KMT2ANAAARECQL
SCHEMBL21765846 0.73 MEN1 (0.94) MEN1KMT2ANAAARECQL
SCHEMBL11758762 0.73 MEN1 (0.94) MEN1KMT2ANAAARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1668050-B1 ATTACHMENT OF MOLECULES TO SURFACES SURMODICS INC (US) 2009-11-11 EP disclosed