SCHEMBL529310

SCHEMBL529310

O=C(c1ccc(Cl)cc1)c1cnc2ccc(Cl)cc2c1Nc1cc[c]cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
EGFR P00533 3/20 0.48
CSF1R P07333 2/20 0.47
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
PDE4B Q07343 2/20 0.45
HTR1A P08908 1/20 0.45
HTR2A P28223 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
MELK Q14680 1/20 0.44
NUDT1 P36639 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PAX8 Q06710 1/20 0.41

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
SCHEMBL15190788 0.84 MAPT (0.54) MAPTEGFRCSF1RALDH1A1HTT
SCHEMBL23575734 0.78 EGFR (0.61) MAPTEGFRCSF1RALDH1A1HTT
SCHEMBL23575320 0.77 NUDT1 (0.67) MAPTEGFRCSF1RALDH1A1HTT
SCHEMBL23575595 0.76 PDE4B (0.68) EGFRCSF1RPDE4B
SCHEMBL9875419 0.76 LMNA (0.54) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL9874420 0.75 MEN1 (0.51) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL3785960 0.74 PAX8 (0.52) MAPTEGFRCSF1RALDH1A1GAA
SCHEMBL13082917 0.74 EGFR (0.61) MAPTEGFRCSF1RPDE4BMELK
SCHEMBL29220504 0.73 EGFR (0.51) MAPTEGFRCSF1RALDH1A1HTT
SCHEMBL30864145 0.73 EGFR (0.51) MAPTEGFRCSF1RALDH1A1HTT

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