SCHEMBL7360307

SCHEMBL7360307

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N(C(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1)c1n[nH]c(=S)s1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 10/20 0.40
LIMK1 P53667 4/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 5/20 0.38
MMP8 P22894 5/20 0.38
MMP1 P03956 4/20 0.38
MMP9 P14780 4/20 0.38
HDAC3 O15379 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 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
SCHEMBL7356789 0.83 MMP3 (0.43) MMP2MMP8MMP1MMP9
SCHEMBL7358533 0.81 MMP3 (0.39) MMP2MMP8MMP1MMP9
SCHEMBL7368214 0.80 LNPEP (0.41) MMP2MMP1
SCHEMBL7360305 0.77 MMP1 (0.56) MMP2MMP8MMP1MMP9
SCHEMBL7360314 0.77 MMP1 (0.56) MMP2MMP8MMP1MMP9
SCHEMBL7396119 0.76 MMP3 (0.44) MMP2MMP8MMP1MMP9
SCHEMBL7361335 0.75 MMP3 (0.42) ALDH1A1MAPTMMP2MMP8MMP1
SCHEMBL7366460 0.74 MMP3 (0.42) MMP2MMP8MMP1MMP9
SCHEMBL7425968 0.73 MMP3 (0.40) MMP2MMP8MMP1MMP9
SCHEMBL7364939 0.73 ERAP2 (0.40) MAPTMEN1KMT2AMMP2MMP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 US claimed
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 claimed
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