SCHEMBL4748775

SCHEMBL4748775

OCc1ccccc1Nc1ccnc2cc(Cl)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
THRB P10828 1/20 0.62
MAPT P10636 3/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
GAA P10253 2/20 0.56
ATM Q13315 1/20 0.56
CYP1A2 P05177 5/20 0.56
CYP2D6 P10635 4/20 0.56
CYP2C19 P33261 4/20 0.56
CYP3A4 P08684 3/20 0.56
KCNH2 Q12809 3/20 0.56
MAPK1 P28482 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
CYP2C9 P11712 2/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL4729504 0.85 CXCL8 (0.62) POLBTHRBMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL4733095 0.84 CYP2C9 (0.60) POLBTHRBMAPTKMT2AMEN1
SCHEMBL4734517 0.82 POLB (0.60) POLBTHRBMAPTKMT2AMEN1
SCHEMBL8066565 0.81 NR4A2 (0.58) POLBMAPTKMT2ATDP1GAA
SCHEMBL4729232 0.80 POLB (0.63) POLBTHRBMAPTKMT2AMEN1
SCHEMBL21121619 0.80 POLB (0.67) POLBTHRBMAPTKMT2AMEN1
SCHEMBL11194879 0.79 POLB (0.54) POLBTHRBMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL22029285 0.78 POLB (0.65) POLBTHRBMAPTKMT2AMEN1
SCHEMBL4730108 0.78 CYP1A2 (0.73) POLBTHRBMAPTKMT2AMEN1
SCHEMBL598101 0.78 CYP1A2 (0.65) POLBTHRBMAPTKMT2AMEN1

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-2008135886-A2 QUINOLINE DERIVATIVES FOR USE IN THE INHIBITION OF THE GROWTH OF TUMOUR CELLS UNIVERSITY OF PRETORIA (ZA) 2008-11-13 WO disclosed