SCHEMBL6151398

SCHEMBL6151398

N#Cc1ccc(OCC(O)CN2CC3CN(C(=O)O)CC(C2)O3)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.64
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 4/20 0.50
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.43
ABCB1 P08183 2/20 0.43
AGER Q15109 1/20 0.43
ATM Q13315 1/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2964698 1.00 KCNH2 (0.64) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2966219 0.91 KCNH2 (0.70) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2966221 0.91 KCNH2 (0.70) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6095179 0.89 MEN1 (0.56) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2956759 0.88 KCNH2 (0.62) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2969679 0.86 KCNH2 (0.63) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL2959969 0.86 KCNH2 (0.61) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6316718 0.86 MEN1 (0.53) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6316723 0.86 MEN1 (0.53) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6619543 0.86 MEN1 (0.53) KCNH2KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 EP claimed