SCHEMBL8014094

SCHEMBL8014094

COc1ccc(CCONc2c3c(nc4ccccc24)CCCC3)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.71
BCHE P06276 6/20 0.71
CYP1A2 P05177 3/20 0.71
CYP3A4 P08684 2/20 0.71
GAA P10253 2/20 0.64
GFER P55789 2/20 0.64
APP P05067 1/20 0.59
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.54
TTR P02766 1/20 0.54
GLA P06280 1/20 0.54
POLB P06746 1/20 0.54
RAD52 P43351 1/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL7944432 0.86 BCHE (0.65) ACHEBCHEAPPKDM4EMEN1
SCHEMBL7935378 0.80 ACHE (0.60) ACHEBCHEAPP
SCHEMBL8018033 0.78 BCHE (0.58) ACHEBCHEAPP
SCHEMBL7944938 0.77 HRH3 (0.67) ACHEBCHERAD52
SCHEMBL7935359 0.77 BCHE (0.61) ACHEBCHEAPPKDM4EMEN1
SCHEMBL7941639 0.76 ACHE (0.61) ACHEBCHEGAAGFERAPP
SCHEMBL8020560 0.76 BCHE (0.60) ACHEBCHEAPPKDM4EMEN1
SCHEMBL8014300 0.75 HRH3 (0.69) ACHEBCHERAD52
SCHEMBL7944443 0.75 BCHE (0.57) ACHEBCHEAPP
SCHEMBL7944955 0.75 BCHE (0.61) ACHEBCHEGAAGFERAPP

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-6075144-A ABILITY TO INHIBIT ACETYLCHOLINESTERASE; TREATS ALZHEIMER,S DISEASE HOECHST MARION ROUSSEL, INC. (US) 2000-06-13 US claimed