SCHEMBL7426509

SCHEMBL7426509

CC(C)(C)OC(=O)N(C(=O)[C@@H](N)CCc1ccccc1)c1n[nH]c(=S)s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 0.39
MMP1 P03956 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MMP2 P08253 1/20 0.35
AKT1 P31749 2/20 0.34
GLS O94925 1/20 0.34
SLC7A5 Q01650 1/20 0.33

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
SCHEMBL7420570 0.81 KDM4E (0.34) MMP3KDM4EALDH1A1GAAAPOBEC3G
SCHEMBL7426285 0.77 MMP3 (0.44) MMP3MMP1ALDH1A1MMP2SLC7A5
SCHEMBL7358708 0.74 MMP3 (0.42) MMP3MMP1MMP2
SCHEMBL7357685 0.70 MMP3 (0.44) MMP3MMP1ALDH1A1MMP2
SCHEMBL2307682 0.69 LTA4H (0.55) MMP3MMP1CTSSCTSKSLC7A5
SCHEMBL2307679 0.69 LTA4H (0.55) MMP3MMP1CTSSCTSKSLC7A5
SCHEMBL27878054 0.69 LTA4H (0.55) MMP3MMP1CTSSCTSKSLC7A5
SCHEMBL7361335 0.69 MMP3 (0.42) MMP3MMP1ALDH1A1CTSSCTSK
SCHEMBL7364809 0.69 MMP3 (0.39) MMP3MMP1ALDH1A1CTSSCTSK
Hydrochloric Acid SCHEMBL29264506 0.68 LTA4H (0.54) MMP3MMP1CTSSCTSKSLC7A5

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-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed