SCHEMBL13625112

SCHEMBL13625112

CC(C)Oc1ccc(Cl)c2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.60
CYP3A4 P08684 1/20 0.60
ALOX12 P18054 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
GAA P10253 2/20 0.56
PKM P14618 1/20 0.53
MAPT P10636 6/20 0.51
HSP90AA1 P07900 2/20 0.51
BRD4 O60885 1/20 0.51
LMNA P02545 1/20 0.51
METAP2 P50579 1/20 0.51
METAP1 P53582 1/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CCR6 P51684 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.48

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
SCHEMBL9510908 0.84 KDM4E (0.53) KDM4ECYP3A4ALOX12TDP1GAA
SCHEMBL571602 0.83 KDM4E (0.63) KDM4ECYP3A4ALOX12TDP1GAA
SCHEMBL2770506 0.81 KDM4E (0.65) KDM4ECYP3A4ALOX12TDP1GAA
SCHEMBL9245905 0.81 KDM4E (0.57) KDM4ECYP3A4ALOX12TDP1GAA
SCHEMBL14446357 0.81 KDM4E (0.51) KDM4ECYP3A4ALOX12TDP1GAA
SCHEMBL26920799 0.81 KMT2A (0.50) KDM4ECYP3A4ALOX12TDP1GAA
SCHEMBL27466936 0.81 KDM4E (0.67) KDM4ECYP3A4ALOX12TDP1GAA
SCHEMBL3454271 0.79 KDM4E (0.55) KDM4ECYP3A4ALOX12TDP1GAA
SCHEMBL30112294 0.79 KDM4E (0.55) KDM4ECYP3A4ALOX12TDP1GAA
SCHEMBL168947 0.79 KDM4E (0.62) KDM4ECYP3A4ALOX12TDP1GAA

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
US-7619091-B2 Treating nervous system disorders such as mild cognitive impairment, Alzheimer's disease or dementia associated with Down syndrome; e.g. use of 5,7-dichloro-8-hydroxy-2-(2-pyridyl)-quinoline (PBT 1052) PRANA BIOTECHNOLOGY LIMITED (AU) 2009-11-17 US disclosed