SCHEMBL432745

SCHEMBL432745

O=C(Nc1ccc(Cl)nc1OC1CN(C/C=C/Cc2ccc(Cl)cc2)C1)c1ccnc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.36
MAPT P10636 3/20 0.34
PROKR1 Q8TCW9 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F10 P00742 10/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL432023 0.81 GRM5 (0.34) SCN9APROKR1
SCHEMBL434931 0.81 GRM5 (0.34) SCN9APROKR1
SCHEMBL432153 0.79 GSK3B (0.35) SCN9AMAPTPROKR1GSK3AGSK3B
SCHEMBL432154 0.79 GSK3B (0.35) SCN9AMAPTPROKR1GSK3AGSK3B
SCHEMBL435039 0.78 MCHR1 (0.34) SCN9AMAPTPROKR1GSK3AGSK3B
SCHEMBL431257 0.78 MCHR1 (0.34) SCN9AMAPTPROKR1GSK3AGSK3B
SCHEMBL431256 0.78 MCHR1 (0.34) SCN9AMAPTPROKR1GSK3AGSK3B
SCHEMBL435038 0.78 MCHR1 (0.34) SCN9AMAPTPROKR1GSK3AGSK3B
SCHEMBL432987 0.78 MAPT (0.37) SCN9AMAPTPROKR1GSK3AGSK3B
SCHEMBL432986 0.78 MAPT (0.37) SCN9AMAPTPROKR1GSK3AGSK3B

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-2012012366-A1 PESTICIDAL 3-(ARYLOXY)AZACYCLOALKANES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-01-26 WO disclosed