SCHEMBL6950720

SCHEMBL6950720

O=C(Nc1n[nH]c(=S)s1)N[C@H](C(=O)O)c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 15/20 0.78
MMP1 P03956 5/20 0.78
MMP2 P08253 1/20 0.57
CA1 P00915 4/20 0.57
CA9 Q16790 3/20 0.57
CA2 P00918 3/20 0.57
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL6950729 1.00 MMP3 (0.78) MMP3MMP1MMP2CA1CA9
SCHEMBL7332687 0.88 MMP3 (0.76) MMP3MMP1MMP2CA1CA9
SCHEMBL6956826 0.88 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6955435 0.88 MMP3 (0.76) MMP3MMP1MMP2CA1CA9
SCHEMBL6956824 0.88 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6957782 0.82 MMP3 (0.71) MMP3MMP1MMP2CA1CA9
SCHEMBL6956258 0.80 MMP3 (0.71) MMP3MMP1MMP2CA1CA9
SCHEMBL2679911 0.79 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL6956147 0.79 MMP3 (1.00) MMP3MMP1MMP2
SCHEMBL10118131 0.79 MMP3 (1.00) MMP3MMP1MMP2

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-0900211-B1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS UPJOHN CO (US) 2003-07-02 EP claimed