SCHEMBL531593

SCHEMBL531593

CC(=O)c1cnc2ccc(Br)cc2c1NC1CCCCC1NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
MELK Q14680 17/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL529607 0.89 MELK (0.46) TSHRHTTMELKMAPK1GAA
SCHEMBL531466 0.88 MELK (0.47) TSHRHTTMELKMAPK1GAA
SCHEMBL15190935 0.86 MELK (0.54) TSHRHTTMELK
SCHEMBL528868 0.86 MELK (0.54) TSHRHTTMELK
SCHEMBL529137 0.81 MELK (0.68) MELK
SCHEMBL15197562 0.79 MELK (0.56) TSHRHTTMELK
SCHEMBL529083 0.78 MELK (0.67) MELK
SCHEMBL10282302 0.78 MELK (0.67) MELK
SCHEMBL18843793 0.78 PDE4B (0.54) TSHRHTTMELKMAPK1
SCHEMBL10282359 0.77 MELK (0.72) 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