SCHEMBL529115

SCHEMBL529115

CN(C)CCCNc1c(C(=O)O)cnc2ccc(-c3ccc(O)cc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MELK Q14680 13/20 0.51
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 2/20 0.43
ATM Q13315 2/20 0.43
ATR Q13535 1/20 0.43
MAPK1 P28482 1/20 0.42
TRIM58 Q8NG06 1/20 0.42

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
SCHEMBL531008 0.92 KMT2A (0.46) MELKKDM4EMEN1GAAKMT2A
SCHEMBL17450160 0.92 MELK (0.60) MELK
SCHEMBL530888 0.91 KCNH2 (0.54) MELKKDM4EMEN1GAAKMT2A
SCHEMBL530333 0.91 MELK (0.52) MELKKDM4EMEN1GAAKMT2A
SCHEMBL10282210 0.89 MAPT (0.50) KDM4EMEN1GAAKMT2AATM
Hydrochloric Acid SCHEMBL529682 0.88 MAPT (0.49) KDM4EMEN1GAAKMT2AKCNH2
SCHEMBL529565 0.88 MELK (0.48) MELKKDM4EMEN1GAAKMT2A
SCHEMBL15190668 0.87 KMT2A (0.66) KDM4EMEN1GAAKMT2AMAPK1
SCHEMBL529183 0.86 MELK (0.52) MELKKDM4EMEN1GAAKMT2A
SCHEMBL529687 0.86 CSF1R (0.47) MELKKDM4EMEN1GAAKMT2A

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