SCHEMBL432986

SCHEMBL432986

O=C(Nc1cc(Cl)cnc1OC1CN(C/C=C/c2ccc(Cl)cc2)C1)c1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
GSK3B P49841 7/20 0.37
GSK3A P49840 5/20 0.37
MCHR1 Q99705 1/20 0.36
TACR3 P29371 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.34
SCN9A Q15858 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
SCHEMBL432987 1.00 MAPT (0.37) MAPTGSK3BGSK3AMCHR1TACR3
SCHEMBL433488 0.91 EBP (0.36) MAPTGSK3BGSK3AMCHR1SMN1; SMN2
SCHEMBL432154 0.89 GSK3B (0.35) MAPTGSK3BGSK3AMCHR1PROKR1
SCHEMBL432153 0.89 GSK3B (0.35) MAPTGSK3BGSK3AMCHR1PROKR1
SCHEMBL431256 0.88 MCHR1 (0.34) MAPTGSK3BGSK3AMCHR1SMN1; SMN2
SCHEMBL431257 0.88 MCHR1 (0.34) MAPTGSK3BGSK3AMCHR1SMN1; SMN2
SCHEMBL435039 0.88 MCHR1 (0.34) MAPTGSK3BGSK3AMCHR1SMN1; SMN2
SCHEMBL435038 0.88 MCHR1 (0.34) MAPTGSK3BGSK3AMCHR1SMN1; SMN2
SCHEMBL461386 0.86 SLC6A3 (0.34) GSK3BMCHR1SMN1; SMN2PROKR1EBP
SCHEMBL461387 0.86 SLC6A3 (0.34) GSK3BMCHR1SMN1; SMN2PROKR1EBP

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