Sugi Predict

Sugi Predict / Compounds / SCHEMBL13424980

SCHEMBL13424980

SCHEMBL13424980

Cn1c(=O)ccc2ncc(F)c(OC[C@H]3CC[C@H](NCc4nc5c(cc4Cl)OCC(=O)N5)CC3)c21

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 14/20 0.49
▸ KCNQ1 P51787 1/20 0.42
▸ CACNA1C Q13936 1/20 0.42
▸ MGLL Q99685 1/20 0.40

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
SCHEMBL13424702 0.91 KCNH2 (0.42) KCNH2KCNQ1CACNA1CMGLL
SCHEMBL13424848 0.89 KCNH2 (0.52) KCNH2KCNQ1CACNA1C
SCHEMBL13425069 0.88 KCNH2 (0.49) KCNH2KCNQ1CACNA1C
SCHEMBL13425017 0.87 KCNH2 (0.59) KCNH2KCNQ1CACNA1C
SCHEMBL13424805 0.86 KCNH2 (0.48) KCNH2KCNQ1CACNA1C
SCHEMBL13425037 0.84 KCNH2 (0.48) KCNH2KCNQ1CACNA1C
SCHEMBL13424810 0.83 KCNH2 (0.44) KCNH2KCNQ1CACNA1CMGLL
SCHEMBL13425015 0.81 KCNH2 (0.45) KCNH2KCNQ1CACNA1C
SCHEMBL3107223 0.80 KCNH2 (0.51) KCNH2KCNQ1CACNA1C
Hydrochloric Acid SCHEMBL3106972 0.79 KCNH2 (0.50) KCNH2KCNQ1CACNA1C

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
WO-2010045987-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUIN0LIN-2-0NES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 — — WO disclosed
WO-2010046388-A1 SUBSTITUTED (AZA) -1-METHYL-1H-QUINOLIN-2-ONES AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-04-29 — — WO disclosed