SCHEMBL6996491

SCHEMBL6996491

N#Cc1ccc(OCC(O)CN2CC3CC(C2)CN(S(=O)(=O)NC(O)=S)C3)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.44
AGER Q15109 1/20 0.42
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
KDM1A O60341 1/20 0.40
MAPT P10636 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPK1 P28482 2/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38

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
SCHEMBL7027128 0.84 KCNH2 (0.55) KCNH2KMT2AMEN1KDM4EALDH1A1
SCHEMBL7032087 0.84 KDM4E (0.60) KCNH2KMT2AMEN1KDM4EALDH1A1
SCHEMBL6993770 0.84 KDM4E (0.60) KCNH2KMT2AMEN1KDM4EALDH1A1
SCHEMBL6993777 0.84 KDM4E (0.60) KCNH2KMT2AMEN1KDM4EALDH1A1
SCHEMBL7032100 0.84 KDM4E (0.60) KCNH2KMT2AMEN1KDM4EALDH1A1
SCHEMBL7028272 0.83 KCNH2 (0.48) KCNH2KMT2AMEN1KDM4EALDH1A1
SCHEMBL7101395 0.82 KCNH2 (0.58) KCNH2KMT2AMEN1KDM4EALDH1A1
SCHEMBL6992942 0.82 KCNH2 (0.53) KCNH2KMT2AMEN1KDM4EALDH1A1
SCHEMBL6988931 0.82 KCNH2 (0.51) KCNH2KMT2AMEN1KDM4EALDH1A1
SCHEMBL6619543 0.80 MEN1 (0.53) KCNH2KMT2AMEN1KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 WO disclosed