SCHEMBL586306

SCHEMBL586306

COc1ccc2ccc(=O)n(C(CO)C3CCC(NCc4cc5c(cn4)OCCO5)CC3)c2n1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 12/20 0.65

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
SCHEMBL586222 0.86 KCNH2 (0.73) KCNH2
SCHEMBL586223 0.86 KCNH2 (0.73) KCNH2
SCHEMBL602359 0.79 KCNH2 (0.68) KCNH2
SCHEMBL706710 0.78 KCNH2 (1.00) KCNH2
Hydrochloric Acid SCHEMBL3860284 0.78 KCNH2 (0.98) KCNH2
Hydrochloric Acid SCHEMBL4140150 0.78 KCNH2 (0.98) KCNH2
SCHEMBL13736100 0.78 KCNH2 (0.75) KCNH2
SCHEMBL1607074 0.76 KCNH2 (0.67) KCNH2
SCHEMBL15309951 0.73 KCNH2 (0.68) KCNH2
SCHEMBL603347 0.73 KCNH2 (0.68) 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-2417141-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY Actelion Pharmaceuticals Ltd. (CH) 2012-02-15 EP disclosed
WO-2010116337-A1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2010-10-14 WO disclosed