SCHEMBL3988807

SCHEMBL3988807

Cn1c(=O)ccc2ncc(C#N)c(CCN3CC(O)C(CNCc4cc5c(cn4)OCS5)C3)c21

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 11/20 0.57
SLC2A1 P11166 5/20 0.38

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
SCHEMBL3094469 1.00 KCNH2 (0.57) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3107696 0.99 KCNH2 (0.56) KCNH2SLC2A1
SCHEMBL3099608 0.90 KCNH2 (0.46) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3100069 0.89 KCNH2 (0.46) KCNH2SLC2A1
SCHEMBL3113571 0.86 KCNH2 (0.59) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3106958 0.85 KCNH2 (0.58) KCNH2SLC2A1
SCHEMBL3111701 0.83 KCNH2 (0.73) KCNH2SLC2A1
Hydrochloric Acid SCHEMBL3104489 0.82 KCNH2 (0.72) KCNH2SLC2A1
SCHEMBL3095977 0.80 KCNH2 (0.41) KCNH2
Hydrochloric Acid SCHEMBL3101448 0.80 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-2029612-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS Glaxo Group Limited (GB) 2009-03-04 EP claimed
WO-2008006648-A1 SUBSTITUTED 1-METHYL-1H-QUINOLIN-2-ONES AND 1-METHYL-1H-1,5-NAPHTHYRIDIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-01-17 WO claimed