SCHEMBL7090591

SCHEMBL7090591

N#Cc1ccc(OCC(O)CN2CC3CC(C2)CN(C(=N)N(C#N)C2CC2)C3)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 2/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KCNH2 Q12809 1/20 0.43
AGER Q15109 1/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
CASP2 P42575 1/20 0.38
HPGD P15428 1/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
MAPT P10636 1/20 0.38
HIF1A Q16665 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATM Q13315 1/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7032087 0.84 KDM4E (0.60) ALDH1A1KDM4EKMT2AMEN1KCNH2
SCHEMBL6993777 0.84 KDM4E (0.60) ALDH1A1KDM4EKMT2AMEN1KCNH2
SCHEMBL6993770 0.84 KDM4E (0.60) ALDH1A1KDM4EKMT2AMEN1KCNH2
SCHEMBL7032100 0.84 KDM4E (0.60) ALDH1A1KDM4EKMT2AMEN1KCNH2
SCHEMBL7136939 0.82 KDM4E (0.43) ALDH1A1KDM4EKMT2AMEN1KCNH2
SCHEMBL6622630 0.80 MEN1 (0.53) ALDH1A1KDM4EKMT2AMEN1KCNH2
SCHEMBL6619543 0.80 MEN1 (0.53) ALDH1A1KDM4EKMT2AMEN1KCNH2
SCHEMBL6742821 0.79 KDM4E (0.51) ALDH1A1KDM4EKMT2AMEN1KCNH2
SCHEMBL7033210 0.79 KDM4E (0.53) ALDH1A1KDM4EKMT2AMEN1KCNH2
SCHEMBL6737450 0.79 KCNH2 (0.52) ALDH1A1KDM4EKMT2AMEN1KCNH2

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