SCHEMBL10282145

SCHEMBL10282145

CCCCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@H]1CC[C@H](CN(C)C)CC1

nearest known ligand 0.92

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MELK Q14680 20/20 0.92

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
SCHEMBL530456 0.96 MELK (1.00) MELK
SCHEMBL12505165 0.96 MELK (1.00) MELK
SCHEMBL532057 0.92 MELK (1.00) MELK
SCHEMBL532056 0.92 MELK (1.00) MELK
SCHEMBL530711 0.91 MELK (1.00) MELK
SCHEMBL530710 0.91 MELK (1.00) MELK
Hydrochloric Acid SCHEMBL15190991 0.91 MELK (0.98) MELK
Hydrochloric Acid SCHEMBL15190992 0.91 MELK (0.98) MELK
SCHEMBL531951 0.89 MELK (1.00) MELK
SCHEMBL531952 0.89 MELK (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed