SCHEMBL4884706

SCHEMBL4884706

CNC(=O)CCCN(C)S(=O)(=O)c1cccc(C[N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.43
VCAM1 P19320 2/20 0.42
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 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
SCHEMBL4886776 0.77 LMNA (0.67) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL4886782 0.75 LMNA (0.58) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL5218879 0.74 VCAM1 (0.48) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL5385935 0.72 BDKRB1 (0.49)
SCHEMBL4894694 0.71 LMNA (0.53) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL4886798 0.69 LMNA (0.56) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL4886802 0.67 LMNA (0.48) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL5209884 0.66 LMNA (0.46) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL10246043 0.65 GAA (0.62) LMNASMN1; SMN2MEN1KMT2APOLB
SCHEMBL5216082 0.65 BDKRB1 (0.43) LMNASMN1; SMN2MEN1KMT2APOLB

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