SCHEMBL6955451

SCHEMBL6955451

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 12/20 0.53
MMP1 P03956 4/20 0.53
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP2 P08253 1/20 0.48
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL6956748 0.88 MMP3 (0.49) MMP3MMP1LMNASMN1; SMN2MMP2
SCHEMBL6955820 0.87 MMP3 (0.55) MMP3MMP1LMNAMMP2ALDH1A1
SCHEMBL6958179 0.86 MMP3 (0.54) MMP3MMP1LMNAMMP2ALDH1A1
SCHEMBL6958488 0.85 MEN1 (0.54) MMP3MMP1LMNASMN1; SMN2MEN1
SCHEMBL6957511 0.85 MMP3 (0.50) MMP3MMP1LMNASMN1; SMN2MEN1
SCHEMBL6964530 0.82 MMP3 (0.52) MMP3MMP1MMP2
SCHEMBL6967414 0.82 MMP3 (0.52) MMP3MMP1MMP2
SCHEMBL6964527 0.82 MMP3 (0.52) MMP3MMP1MMP2
SCHEMBL6958278 0.78 MMP3 (0.46) MMP3MMP1LMNAKMT2AMMP2
SCHEMBL6955457 0.78 MMP3 (0.68) 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 3 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-B1 THIADIAZOLE AMIDE MMP INHIBITORS UPJOHN CO (US) 2003-02-26 EP disclosed
US-5830869-A METALLOPROTEASE INHIBITOR PHARMACIA & UPJOHN COMPANY 1998-11-03 US disclosed