SCHEMBL4886802

SCHEMBL4886802

CNC(=O)CCN(C)S(=O)(=O)c1ccc(C)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 3/20 0.44
GAA P10253 3/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
ADAM17 P78536 1/20 0.42
SERPINE1 P05121 3/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4886782 0.92 LMNA (0.58) LMNASMN1; SMN2ALDH1A1GAASERPINE1
SCHEMBL4886798 0.82 LMNA (0.56) LMNASMN1; SMN2MMP1MMP9MMP13
SCHEMBL4894187 0.75 PKM (0.49) LMNASMN1; SMN2ALDH1A1MMP1MMP9
SCHEMBL4886776 0.74 LMNA (0.67) LMNASMN1; SMN2ALDH1A1GAAPOLB
SCHEMBL4891235 0.74 LMNA (0.41) LMNASMN1; SMN2ALDH1A1MMP1MMP9
SCHEMBL4895346 0.73 LMNA (0.55) LMNASMN1; SMN2ALDH1A1MMP1MMP9
SCHEMBL3440426 0.71 BDKRB1 (0.52)
SCHEMBL5216887 0.69 ALDH1A1 (0.55) LMNASMN1; SMN2ALDH1A1GAAPOLB
SCHEMBL4894694 0.68 LMNA (0.53) LMNASMN1; SMN2ALDH1A1GAAMMP1
SCHEMBL26769715 0.67 LMNA (0.64) LMNASMN1; SMN2ALDH1A1GAAPOLB

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