SCHEMBL7102819

SCHEMBL7102819

COc1ccc(CS[C@@H](Cc2ccccc2)C(=O)NC(C(=O)NCCc2cccc(Cl)c2)C(=O)NCCc2cccc(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44
CTSD P07339 1/20 0.44
PLAAT3 P53816 3/20 0.43
PLAAT5 Q96KN8 3/20 0.43
PLAAT2 Q9NWW9 3/20 0.43
PLAAT4 Q9UL19 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
SLC2A1 P11166 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
SCHEMBL7104234 0.92 KMT2A (0.50) KMT2AALDH1A1PLAAT3PLAAT5PLAAT2
SCHEMBL7103729 0.92 KMT2A (0.53) KMT2AALDH1A1HPGDCTSDPLAAT3
SCHEMBL7104047 0.91 KMT2A (0.50) KMT2AHPGDSMN1; SMN2PLAAT3PLAAT5
SCHEMBL7098635 0.88 CTSD (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2CTSD
SCHEMBL7101187 0.83 KMT2A (0.47) KMT2AMEN1ALDH1A1PLAAT3PLAAT5
SCHEMBL7102597 0.83 KMT2A (0.47) KMT2AALDH1A1HPGDL3MBTL1
SCHEMBL7414343 0.83 CTSD (0.43) KMT2AMEN1ALDH1A1CTSDL3MBTL1
SCHEMBL7102822 0.82 KMT2A (0.49) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL7101476 0.80 L3MBTL1 (0.55) KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL7162745 0.76 L3MBTL1 (0.51) KMT2AALDH1A1SMN1; SMN2L3MBTL1

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