SCHEMBL4886782

SCHEMBL4886782

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
HTT P42858 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 2/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SERPINE1 P05121 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
SCHEMBL4886802 0.92 LMNA (0.48) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4886776 0.83 LMNA (0.67) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4894694 0.76 LMNA (0.53) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4884706 0.75 LMNA (0.47) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4886798 0.74 LMNA (0.56) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL5218879 0.73 VCAM1 (0.48) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL5209884 0.68 LMNA (0.46) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4894187 0.68 PKM (0.49) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL8411797 0.68 SERPINE1 (0.52) LMNAALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL4891235 0.67 LMNA (0.41) LMNASMN1; SMN2KMT2APOLBALDH1A1

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