SCHEMBL7426285

SCHEMBL7426285

N[C@@H](Cc1ccccc1)C(=O)N(C(=O)OCc1ccccc1)c1n[nH]c(=S)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 14/20 0.44
MMP1 P03956 7/20 0.42
SLC15A1 P46059 1/20 0.42
MMP2 P08253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALPI P09923 1/20 0.37
PKM P14618 1/20 0.37
PTGS1 P23219 1/20 0.37
XIAP P98170 1/20 0.37
SLC7A5 Q01650 1/20 0.37
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL7360708 0.90 MMP3 (0.38) MMP3MMP1SLC15A1MMP2ALDH1A1
SCHEMBL7357685 0.88 MMP3 (0.44) MMP3MMP1MMP2ALDH1A1MAPT
SCHEMBL7361335 0.86 MMP3 (0.42) MMP3MMP1MMP2ALDH1A1MAPT
SCHEMBL7358708 0.86 MMP3 (0.42) MMP3MMP1MMP2
SCHEMBL7358535 0.86 MMP3 (0.41) MMP3MMP1SLC15A1MMP2ALDH1A1
SCHEMBL7357864 0.85 MMP3 (0.43) MMP3MMP1MMP2
SCHEMBL7358850 0.85 MMP3 (0.38) MMP3MMP1MMP2ALPIPKM
SCHEMBL7363695 0.83 MME (0.46) MMP3MMP1MMP2KMT2A
SCHEMBL7423322 0.82 ERAP2 (0.40) MMP3MMP1MMP2MMP9
SCHEMBL7355861 0.82 PSMB1 (0.41) MMP3MMP1

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