SCHEMBL4886776

SCHEMBL4886776

CNC(=O)CCCN(C)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
KMT2A Q03164 3/20 0.67
HTT P42858 2/20 0.67
MEN1 O00255 2/20 0.67
POLB P06746 2/20 0.67
HSD17B10 Q99714 2/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL4886798 0.91 LMNA (0.56) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL4894694 0.84 LMNA (0.53) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL4886782 0.83 LMNA (0.58) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL26769715 0.82 LMNA (0.64) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL18986533 0.80 LMNA (0.55) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL3454936 0.79 LMNA (0.73) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL3484826 0.78 GAA (0.59) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL599787 0.78 GAA (0.59) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL4884706 0.77 LMNA (0.47) LMNASMN1; SMN2KMT2AHTTMEN1
SCHEMBL12169294 0.77 LMNA (0.52) LMNASMN1; SMN2KMT2AHTTMEN1

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