SCHEMBL7089867

SCHEMBL7089867

CC1(C)CC(O)CC(C)(CN(C#N)C(=N)N2CC3CC(CN(CC(O)COc4ccc(C#N)cc4)C3)C2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
HTT P42858 2/20 0.36
RAD52 P43351 2/20 0.36
CASP2 P42575 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.35
AGER Q15109 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7034822 0.82 KCNH2 (0.40) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7034821 0.82 KCNH2 (0.40) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7136939 0.81 KDM4E (0.43) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7034824 0.81 KCNH2 (0.39) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7090591 0.76 ALDH1A1 (0.45) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6994695 0.76 KCNH2 (0.38) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6993770 0.75 KDM4E (0.60) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7032087 0.75 KDM4E (0.60) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL7032100 0.75 KDM4E (0.60) KCNH2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6993777 0.75 KDM4E (0.60) KCNH2ALDH1A1KDM4EMEN1KMT2A

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