SCHEMBL3843879

SCHEMBL3843879

O=C(O)N(Cc1cc2c(nn1)OCCO2)C1CCN(CCc2nc3cc(F)c(F)cc3[nH]c2=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 4/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
OPRM1 P35372 12/20 0.32
TMEM97 Q5BJF2 3/20 0.31
ATM Q13315 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL3846954 0.89 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4303636 0.77 KCNH2 (0.43) KCNH2
Hydrochloric Acid SCHEMBL3843858 0.74 KCNH2 (0.49) KCNH2
Hydrochloric Acid SCHEMBL3839451 0.74 KCNH2 (0.49) KCNH2
SCHEMBL15121631 0.72 KCNH2 (0.39) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3217898 0.72 SLC6A4 (0.37) KCNH2KDM4EALDH1A1MAPT
SCHEMBL5047886 0.72 SIGMAR1 (0.38) KCNH2SIGMAR1
SCHEMBL3843307 0.70 ALDH1A1 (0.40) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3842888 0.69 KCNH2 (0.54) KCNH2
SCHEMBL4779584 0.68 KCNH2 (0.41) 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