SCHEMBL7423362

SCHEMBL7423362

CC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)Nc1n[nH]c(=S)s1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 15/20 0.67
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA9 Q16790 3/20 0.56
MMP1 P03956 10/20 0.46
MMP2 P08253 4/20 0.46
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44

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
SCHEMBL7423375 1.00 MMP3 (0.67) MMP3CA1CA2CA9MMP1
SCHEMBL7420574 0.81 MMP3 (0.62) MMP3CA1CA2CA9MMP1
SCHEMBL7420565 0.81 MMP3 (0.62) MMP3CA1CA2CA9MMP1
SCHEMBL6961636 0.77 CTSK (0.59) MMP3MMP1MMP2
SCHEMBL6961631 0.77 CTSK (0.59) MMP3MMP1MMP2
SCHEMBL7357865 0.77 MMP3 (0.62) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7357861 0.77 MMP3 (0.62) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6951295 0.76 MMP3 (0.74) MMP3CA1CA2CA9MMP1
SCHEMBL7426200 0.74 MMP3 (0.59) MMP3MMP1MMP2MMP9MMP8
SCHEMBL7362031 0.73 CTSK (0.49) 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
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 WO disclosed