SCHEMBL14036559

SCHEMBL14036559

COc1cc(N)ccc1-n1cc(C)nn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.54
BRD4 O60885 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 1/20 0.44
LRRK2 Q5S007 1/20 0.44
KCNH2 Q12809 2/20 0.42
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
NOTUM Q6P988 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
SNCA P37840 1/20 0.36

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
SCHEMBL4082754 0.78 ALDH1A1 (0.52) BRD4ALDH1A1MAPTKDM4EKCNH2
SCHEMBL4020226 0.78 LRRK2 (0.46) BRD4ALDH1A1MAPTKDM4ELMNA
SCHEMBL17978520 0.77 DDX3X (0.52) NR4A1ALDH1A1MAPTKCNH2GAA
SCHEMBL4093222 0.76 MAPT (0.47) BRD4MAPTNOTUMSNCA
SCHEMBL14036564 0.76 SNCA (0.53) BRD4ALDH1A1MAPTLMNAMAPK1
SCHEMBL20283634 0.75 KDM4E (0.49) NR4A1BRD4ALDH1A1MAPTKDM4E
SCHEMBL16896842 0.74 NR4A1 (0.70) NR4A1BRD4ALDH1A1MAPTKDM4E
SCHEMBL1039243 0.74 NR4A1 (0.51) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL511425 0.73 NR4A1 (0.54) NR4A1ALDH1A1MAPTKDM4ELMNA
SCHEMBL511511 0.73 NR4A1 (0.54) NR4A1KCNH2PSEN1PSEN2APH1B

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-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed