SCHEMBL6961609

SCHEMBL6961609

O=C(Nc1n[nH]c(=S)s1)C(Cc1c[nH]c2ccccc12)NC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 7/20 0.53
MMP1 P03956 3/20 0.53
MMP2 P08253 1/20 0.52
ACE P12821 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTSL P07711 1/20 0.47
ITGB2 P05107 1/20 0.47
ICAM1 P05362 1/20 0.47

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
SCHEMBL6957936 1.00 MMP3 (0.53) MMP3MMP1MMP2ACEHDAC8
SCHEMBL6956501 0.86 MMP3 (0.69) MMP3MMP1MMP2
SCHEMBL8708865 0.82 MMP3 (0.46) MMP3MMP1MMP2MAPTSMN1; SMN2
SCHEMBL19746141 0.80 HDAC8 (0.66) ACEHDAC8HDAC3HDAC4HDAC1
SCHEMBL27573954 0.79 MAPT (0.52) MMP3MMP1ACEHDAC8HDAC3
SCHEMBL5835796 0.79 MAPT (0.52) MMP3MMP1ACEHDAC8HDAC3
SCHEMBL6963068 0.77 MAPT (0.48) MMP3MMP1MMP2MAPTSMN1; SMN2
SCHEMBL16600233 0.77 HDAC8 (0.65) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL15139981 0.77 ITGB2 (0.56) MMP3MMP1ACEHDAC8HDAC3
SCHEMBL3787557 0.76 MMP9 (0.72) MMP3MMP1MMP2ACEITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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