SCHEMBL529625

SCHEMBL529625

CN(C)CCC1CCN(c2c(S(C)(=O)=O)cnc3ccc(-c4ccc(O)c(Cl)c4)cc23)CC1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.75

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
SCHEMBL529876 0.88 MELK (0.77) MELK
SCHEMBL529187 0.87 MELK (0.57) MELK
SCHEMBL15190789 0.85 MELK (1.00) MELK
SCHEMBL10282293 0.84 MELK (1.00) MELK
SCHEMBL528825 0.82 MELK (0.49) MELK
SCHEMBL15190929 0.78 MELK (0.80) MELK
SCHEMBL15191321 0.77 MELK (1.00) MELK
SCHEMBL15190744 0.77 MELK (0.84) MELK
SCHEMBL15190829 0.76 MELK (0.86) MELK
SCHEMBL17434853 0.76 MELK (0.73) MELK

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-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed