SCHEMBL7360411

SCHEMBL7360411

N[C@@H](CCc1ccccc1)C(=O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1n[nH]c(=S)s1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 9/20 0.35
MMP1 P03956 1/20 0.33
KMT2A Q03164 2/20 0.33
FABP7 O15540 2/20 0.32
FABP5 Q01469 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
OPRD1 P41143 1/20 0.32
CASP3 P42574 2/20 0.31

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
SCHEMBL7358850 0.91 MMP3 (0.38) MMP3MMP1KMT2AFABP7FABP5
SCHEMBL7367586 0.90 MMP3 (0.43) MMP3MMP1
SCHEMBL7394816 0.87 KMT2A (0.32) KMT2AFABP7FABP5CASP3
SCHEMBL7360658 0.86 KMT2A (0.34) MMP3MMP1KMT2AFABP7FABP5
SCHEMBL7363091 0.84 KMT2A (0.35) MMP3MMP1KMT2AFABP7FABP5
SCHEMBL7426509 0.81 MMP3 (0.39) MMP3MMP1KDM4EALDH1A1GAA
SCHEMBL7426285 0.76 MMP3 (0.44) MMP3MMP1KMT2AALDH1A1
SCHEMBL7358708 0.73 MMP3 (0.42) MMP3MMP1
SCHEMBL7360708 0.73 MMP3 (0.38) MMP3MMP1KDM4EALDH1A1
SCHEMBL7361335 0.68 MMP3 (0.42) MMP3MMP1ALDH1A1

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 4 patents. 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
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 EP disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 WO disclosed