SCHEMBL7104112

SCHEMBL7104112

O=C(NCCNc1ccccc1)C(NC(=O)C(Br)Cc1ccccc1)C(=O)NCCNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.46
CTSS P25774 6/20 0.42
CTSL P07711 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MME P08473 1/20 0.39
ACE P12821 1/20 0.39
EPHX1 P07099 1/20 0.39
MMP8 P22894 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
SCHEMBL7104108 1.00 CTSK (0.46) CTSKCTSSCTSLCYP3A4TSHR
SCHEMBL7101423 0.85 KMT2A (0.51) TSHREPHX1MMP8
SCHEMBL7101421 0.85 KMT2A (0.51) TSHREPHX1MMP8
SCHEMBL7098757 0.84 MME (0.55) CTSKCTSSCTSLCYP3A4TSHR
SCHEMBL7098121 0.84 MME (0.55) CTSKCTSSCTSLCYP3A4TSHR
SCHEMBL7098758 0.83 MMP8 (0.58) MMP8
SCHEMBL7098762 0.83 MMP8 (0.58) MMP8
SCHEMBL7098101 0.83 CTSK (0.46) CTSKCTSSCTSLCYP3A4TSHR
SCHEMBL7102726 0.82 MMP8 (0.54) CYP3A4MMP8
SCHEMBL7102729 0.82 MMP8 (0.54) CYP3A4MMP8

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-1140818-B1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMA INC (US) 2003-09-10 EP disclosed
US-6329550-B1 FOR THERAPY OF EMPHYSEMA, OSTEOPOROSIS, RHEUMATOID ARTHRITIS AND NEOPLASTIC DISEASES AVENTIS PHARMACEUTICALS INC. 2001-12-11 US disclosed
EP-1140818-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE Aventis Pharmaceuticals Inc. (US) 2001-10-10 EP disclosed
WO-2000040552-A1 AMIDOMALONAMIDES AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEINASE AVENTIS PHARMACEUTICALS INC. (US) 2000-07-13 WO disclosed