SCHEMBL7104047

SCHEMBL7104047

COc1ccc(CS[C@@H](Cc2ccccc2)C(=O)NC(C(=O)NCCc2ccc(Cl)c(Cl)c2)C(=O)NCCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
PLAAT3 P53816 3/20 0.44
PLAAT5 Q96KN8 3/20 0.44
PLAAT2 Q9NWW9 3/20 0.44
PLAAT4 Q9UL19 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACE P12821 1/20 0.41
FPR2 P25090 1/20 0.41
HPGD P15428 1/20 0.41
CAPN1 P07384 1/20 0.41

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
SCHEMBL7102819 0.91 KMT2A (0.49) KMT2ASMN1; SMN2MAPTPLAAT3PLAAT5
SCHEMBL7103729 0.90 KMT2A (0.53) KMT2AMAPTPLAAT3PLAAT5PLAAT2
SCHEMBL7104234 0.90 KMT2A (0.50) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7098635 0.88 CTSD (0.51) KMT2ASMN1; SMN2MAPTPLAAT3PLAAT5
SCHEMBL7101187 0.83 KMT2A (0.47) KMT2APLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL7102597 0.83 KMT2A (0.47) KMT2AL3MBTL1GAATAAR1ACE
SCHEMBL7104049 0.83 KMT2A (0.49) KMT2ASMN1; SMN2MAPTPLAAT3PLAAT5
SCHEMBL7412009 0.83 EPHX1 (0.43) KMT2AL3MBTL1ACE
SCHEMBL7101476 0.80 L3MBTL1 (0.55) KMT2ASMN1; SMN2L3MBTL1ACEFPR2
SCHEMBL7098739 0.77 PLAAT3 (0.53) KMT2APLAAT3PLAAT5PLAAT2PLAAT4

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