SCHEMBL7360658

SCHEMBL7360658

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
CASP3 P42574 2/20 0.32
FABP5 Q01469 2/20 0.31
FABP7 O15540 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGD P15428 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
MMP3 P08254 2/20 0.31
MMP1 P03956 1/20 0.31
PTPN1 P18031 2/20 0.31
EPHX2 P34913 1/20 0.31
ELANE P08246 1/20 0.30

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
SCHEMBL7363091 0.89 KMT2A (0.35) KMT2ACASP3FABP5FABP7KDM4E
SCHEMBL7358850 0.88 MMP3 (0.38) KMT2ACASP3FABP5FABP7MMP3
SCHEMBL7394816 0.87 KMT2A (0.32) KMT2ACASP3FABP5FABP7SMN1; SMN2
SCHEMBL7360411 0.86 MMP3 (0.35) KMT2ACASP3FABP5FABP7KDM4E
SCHEMBL7367586 0.78 MMP3 (0.43) MMP3MMP1
SCHEMBL7420570 0.76 KDM4E (0.34) KDM4EALDH1A1NPSR1TDP1HPGD
SCHEMBL7426196 0.70 MMP3 (0.44) MMP3MMP1PTPN1
SCHEMBL7470774 0.70 MMP3 (0.54) MMP3MMP1PTPN1
SCHEMBL7360661 0.70 MMP3 (0.54) MMP3MMP1PTPN1
SCHEMBL29823514 0.69 KMT2A (0.46) KMT2ACASP3FABP5FABP7EPHX2

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