SCHEMBL529972

SCHEMBL529972

O=C(O)c1cc2ccccc2nc1-c1ccc(O)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
POLB P06746 1/20 0.56
DHODH Q02127 5/20 0.55
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PDE10A Q9Y233 2/20 0.46
AR P10275 1/20 0.46
PDK1 Q15118 3/20 0.46
ESR2 Q92731 1/20 0.44
IKBKB O14920 1/20 0.44

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
SCHEMBL3912410 0.90 PDE10A (0.56) MEN1KMT2ADHODHTSHRSMN1; SMN2
SCHEMBL8807038 0.85 SMN1; SMN2 (0.56) MEN1KMT2ATSHRSMN1; SMN2NPC1
SCHEMBL5458072 0.84 DHODH (0.54) DHODHTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL1902570 0.80 LMNA (0.47) DHODHTSHRSMN1; SMN2NPC1RAB9A
SCHEMBL27720177 0.80 PDE10A (0.56) MEN1KMT2ADHODHTSHRSMN1; SMN2
SCHEMBL327089 0.78 IKBKB (0.63) MEN1KMT2ADHODHTSHRSMN1; SMN2
SCHEMBL30499579 0.78 IKBKB (0.63) MEN1KMT2ADHODHTSHRSMN1; SMN2
SCHEMBL9866667 0.77 L3MBTL1 (0.62) MEN1KMT2APOLBDHODHSMN1; SMN2
SCHEMBL31133499 0.76 IKBKB (0.51) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL352221 0.76 IKBKB (0.51) MEN1KMT2APOLBTSHRSMN1; SMN2

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