SCHEMBL16637539

SCHEMBL16637539

O=C(O)C1CCCCC1c1nc(Oc2ccccc2)sc1-c1ccc(N2CCSC(O)(O)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.36
ALOX5AP P20292 12/20 0.34
FFAR4 Q5NUL3 1/20 0.33
BTK Q06187 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
LTA4H P09960 1/20 0.32
FFAR1 O14842 1/20 0.32

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
SCHEMBL16637829 0.92 SLC6A2 (0.40) CTSKBTKMEN1USP2ALDH1A1
SCHEMBL16635863 0.82 CTSK (0.42) CTSKALOX5APFFAR4BTKALDH1A1
SCHEMBL16636141 0.82 CTSK (0.42) CTSKALOX5APFFAR4BTKALDH1A1
SCHEMBL16635864 0.82 CTSK (0.49) CTSKALOX5APBTKALDH1A1FNTA
SCHEMBL16636142 0.82 CTSK (0.49) CTSKALOX5APBTKALDH1A1FNTA
SCHEMBL16636094 0.75 SLC6A2 (0.42) CTSKBTKUSP2ALDH1A1
SCHEMBL16636097 0.75 CTSK (0.49) CTSKALDH1A1
SCHEMBL16636575 0.75 CTSK (0.49) CTSKALDH1A1
SCHEMBL16638075 0.72 CTSK (0.44) CTSK
SCHEMBL16635762 0.71 FNTA (0.43) ALOX5APBTKCYP3A4SMN1; SMN2HSD17B10

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
WO-2015051479-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-16 WO disclosed