SCHEMBL6958488

SCHEMBL6958488

O=C(CC(NC(=O)c1ccccc1)c1ccccc1)Nc1n[nH]c(=S)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MMP3 P08254 12/20 0.53
MMP1 P03956 5/20 0.52
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL6958179 0.86 MMP3 (0.54) MMP3MMP1LMNAMAPTCA1
SCHEMBL6955451 0.85 MMP3 (0.53) MEN1KMT2AMMP3MMP1LMNA
SCHEMBL6956748 0.84 MMP3 (0.49) MMP3MMP1LMNAMAPTCA1
SCHEMBL6964527 0.82 MMP3 (0.52) MMP3MMP1MMP2
SCHEMBL6967414 0.82 MMP3 (0.52) MMP3MMP1MMP2
SCHEMBL6964530 0.82 MMP3 (0.52) MMP3MMP1MMP2
SCHEMBL6957511 0.82 MMP3 (0.50) MEN1KMT2AMMP3MMP1LMNA
SCHEMBL6955820 0.82 MMP3 (0.55) MMP3MMP1LMNAMAPTCA1
SCHEMBL6958493 0.78 MMP3 (0.69) MMP3MMP1MMP2
SCHEMBL5655900 0.72 SCD (0.62) MEN1KMT2ALMNAMAPTSMN1; SMN2

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-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP claimed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP claimed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO claimed
EP-1021424-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed
EP-1021424-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-07-26 EP disclosed
US-5830869-A METALLOPROTEASE INHIBITOR PHARMACIA & UPJOHN COMPANY 1998-11-03 US disclosed
WO-1997048688-A1 THIADIAZOLE AMIDE MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-12-24 WO disclosed