SCHEMBL15310307

SCHEMBL15310307

COc1ccc2ccc(=O)n(C[C@H](O)[C@H]3CC[C@@H](NCc4cc5c(cn4)OCCS5)CO3)c2n1

nearest known ligand 0.63

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.63

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
SCHEMBL15310306 1.00 KCNH2 (0.63) KCNH2
SCHEMBL586271 1.00 KCNH2 (0.63) KCNH2
SCHEMBL585703 1.00 KCNH2 (0.63) KCNH2
SCHEMBL586385 0.94 KCNH2 (0.65) KCNH2
SCHEMBL600926 0.92 KCNH2 (0.53) KCNH2
SCHEMBL604577 0.92 KCNH2 (0.55) KCNH2
SCHEMBL602359 0.90 KCNH2 (0.68) KCNH2
SCHEMBL601380 0.88 KCNH2 (0.62) KCNH2
SCHEMBL586207 0.84 KCNH2 (0.53) KCNH2
SCHEMBL1607074 0.83 KCNH2 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417141-B1 2-HYDROXYETHYL-1H-QUINOLIN-2-ONE DERIVATIVES AND THEIR AZAISOSTERIC ANALOGUES WITH ANTIBACTERIAL ACTIVITY ACTELION PHARMACEUTICALS LTD (CH) 2013-10-16 EP disclosed