SCHEMBL7104043

SCHEMBL7104043

O=C(OCc1ccccc1)c1cc2c(=O)[nH]c(=O)[nH]c2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.45
MMP12 P39900 3/20 0.45
MMP1 P03956 3/20 0.45
MMP9 P14780 2/20 0.45
TDP1 Q9NUW8 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 2/20 0.39
AKR1B1 P15121 1/20 0.39

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
SCHEMBL6258644 0.79 MMP13 (0.54) MMP2MMP12MMP1MMP9TDP1
SCHEMBL7145713 0.78 MMP13 (0.43) MMP2MMP12MMP1MMP9TDP1
SCHEMBL6237834 0.76 HSD17B10 (0.45) MMP2MMP12MMP1MMP9TDP1
SCHEMBL6257382 0.75 BRD4 (0.48) MMP2MMP12MMP1MMP9TDP1
SCHEMBL7032450 0.75 MMP13 (0.41) MMP2MMP12MMP1MMP9TDP1
SCHEMBL6468536 0.74 MMP13 (0.42) MMP2MMP12MMP1MMP9TDP1
SCHEMBL6252407 0.74 MMP13 (0.45) MMP2MMP12MMP1MMP9KMT2A
SCHEMBL6259959 0.74 MMP13 (0.49) MMP2MMP12MMP1MMP9TDP1
SCHEMBL6736337 0.74 GCGR (0.41) MMP2MMP12MMP1MMP9TDP1
SCHEMBL6733106 0.73 ALDH1A1 (0.48) MMP2MMP12MMP1MMP9KMT2A

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
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed