SCHEMBL6963406

SCHEMBL6963406

O=C(CCCCc1ccccc1)NC(C(=O)Nc1n[nH]c(=S)s1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 18/20 0.59
MMP1 P03956 8/20 0.58
MMP2 P08253 2/20 0.50
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL6954160 0.94 MMP3 (0.62) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL6961008 0.83 MMP3 (0.59) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL6957782 0.81 MMP3 (0.71) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL6956258 0.80 MMP3 (0.71) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL6958497 0.78 MMP3 (0.58) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL6958491 0.78 MMP3 (0.58) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL6956792 0.74 MMP3 (0.59) MMP3MMP1MMP2MMP9MMP8
SCHEMBL6961552 0.74 MMP3 (0.64) MMP3MMP1MMP2KDM4EALDH1A1
SCHEMBL6967622 0.74 HDAC1 (0.58) ALDH1A1MAPT
SCHEMBL6956826 0.73 MMP3 (1.00) 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 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