SCHEMBL4894187

SCHEMBL4894187

CNC(=O)CCN(C)S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
MAPT P10636 2/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MMP1 P03956 2/20 0.40
MMP9 P14780 2/20 0.40
MMP13 P45452 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP2 P08253 1/20 0.40
MMP8 P22894 1/20 0.40
BDKRB1 P46663 1/20 0.40
FABP4 P15090 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL3440426 0.86 BDKRB1 (0.52) BDKRB1
SCHEMBL3440343 0.78 PKM (0.46) PKMMAPTGLAL3MBTL1MMP1
SCHEMBL4886798 0.78 LMNA (0.56) MAPTLMNASMN1; SMN2MMP1MMP9
SCHEMBL14958738 0.76 GAA (0.42) PKMMAPTGLAL3MBTL1LMNA
SCHEMBL4891235 0.75 LMNA (0.41) GLAL3MBTL1LMNASMN1; SMN2MMP1
SCHEMBL4886802 0.75 LMNA (0.48) LMNASMN1; SMN2MMP1MMP9MMP13
SCHEMBL7516914 0.74 PKM (0.43) PKMMAPTGLAL3MBTL1LMNA
SCHEMBL17296533 0.73 KEAP1 (0.57) PKMMAPTGLAL3MBTL1MMP1
SCHEMBL11441166 0.73 PKM (0.42) PKMMAPTGLAL3MBTL1MMP1
SCHEMBL3440010 0.72 BDKRB1 (0.50) LMNABDKRB1

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
JP-2008518889-A 2008-06-05 JP claimed
EP-1812405-A1 NOVEL BRADYKININ B1 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-01 EP claimed
WO-2006048209-A1 NOVEL BRADYKININ B1 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 WO claimed