SCHEMBL7101421

SCHEMBL7101421

O=C(NCCc1ccccc1)C(NC(=O)[C@H](Br)Cc1ccccc1)C(=O)NCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.49
MMP8 P22894 1/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
EPHX1 P07099 1/20 0.45

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
SCHEMBL7101423 1.00 KMT2A (0.51) KMT2APOLBMMP8MEN1TSHR
SCHEMBL7098758 0.92 MMP8 (0.58) KMT2AMMP8NPC1RAB9AL3MBTL1
SCHEMBL7098762 0.92 MMP8 (0.58) KMT2AMMP8NPC1RAB9AL3MBTL1
SCHEMBL7097650 0.89 KMT2A (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7097647 0.89 KMT2A (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7102729 0.85 MMP8 (0.54) KMT2AMMP8CA12CA2CA9
SCHEMBL7102726 0.85 MMP8 (0.54) KMT2AMMP8CA12CA2CA9
SCHEMBL7104112 0.85 CTSK (0.46) MMP8TSHREPHX1
SCHEMBL7102396 0.85 POLB (0.52) KMT2APOLBMMP8MEN1TSHR
SCHEMBL7104108 0.85 CTSK (0.46) MMP8TSHREPHX1

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