SCHEMBL3846954

SCHEMBL3846954

O=C(O)N(Cc1cc2c(cn1)OCCO2)C1CCN(CCc2nc3cc(F)c(F)cc3[nH]c2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.38
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
KMT2A Q03164 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
SLC2A1 P11166 2/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL3843879 0.89 KCNH2 (0.34) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL15121631 0.83 KCNH2 (0.39) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3843307 0.81 ALDH1A1 (0.40) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3839920 0.77 KCNH2 (0.48) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3843825 0.77 KCNH2 (0.41) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3844362 0.76 KCNH2 (0.37) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4145112 0.74 KCNH2 (0.56) KCNH2
SCHEMBL4136633 0.73 KCNH2 (0.48) KCNH2
SCHEMBL3517716 0.72 KCNH2 (0.52) KCNH2
SCHEMBL5047886 0.72 SIGMAR1 (0.38) KCNH2

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-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed