SCHEMBL27488462

SCHEMBL27488462

O=C(O)C1CNCCN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.56
MMP1 P03956 8/20 0.56
MMP13 P45452 7/20 0.56
MMP3 P08254 4/20 0.56
MMP7 P09237 1/20 0.56
MMP8 P22894 4/20 0.52
MMP2 P08253 2/20 0.52
MMP12 P39900 1/20 0.52
MMP14 P50281 1/20 0.52
ADAM17 P78536 4/20 0.49
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RGS12 O14924 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL7765009 0.91 MMP1 (0.58) MMP9MMP1MMP13MMP3MMP7
SCHEMBL6347543 0.88 MMP1 (0.74) MMP9MMP1MMP13MMP3MMP7
SCHEMBL6339516 0.88 MMP1 (0.74) MMP9MMP1MMP13MMP3MMP7
Hydrochloric Acid SCHEMBL6337126 0.87 MMP1 (0.73) MMP9MMP1MMP13MMP3MMP7
Hydrochloric Acid SCHEMBL7349934 0.83 MMP1 (0.75) MMP9MMP1MMP13MMP3MMP7
SCHEMBL7369631 0.81 MMP1 (0.56) MMP9MMP1MMP13MMP3MMP7
SCHEMBL7226993 0.80 ITGB1 (0.50) MMP9MMP1MMP13MMP3MMP7
SCHEMBL7226992 0.80 ITGB1 (0.50) MMP9MMP1MMP13MMP3MMP7
SCHEMBL27583610 0.80 MMP1 (0.54) MMP9MMP1MMP13MMP3MMP7
Hydrochloric Acid SCHEMBL7454639 0.79 ITGB1 (0.49) MMP9MMP1MMP13MMP3MMP7

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
CN-1207289-C Metalloprotease inhibitors, pharmaceutical compositions containing them and their use as medicaments, process and intermediates for their preparation AGOURON PHARMA (US) 2005-06-22 CN disclosed
CN-1542002-A Inhibitors of metalloproteinase, pharmaceutical compositions containing them, their pharmaceutical application and methods and intermediate compounds for their preparation ������ҩ�����޹�˾ 2004-11-03 CN disclosed
CN-1207734-A Metalloprotease inhibitors, pharmaceutical compositions containing them and their use as medicaments, process and intermediates for their preparation AGOURON PHARMA (US) 1999-02-10 CN disclosed