SCHEMBL433487

SCHEMBL433487

O=C(Nc1cc(F)c(F)nc1OC1CN(CCOc2ccc(Cl)c(F)c2)C1)c1ccnc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.40
ATF4 P18848 10/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FGFR1 P11362 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL434418 0.92 RXFP1 (0.38) SCN9AFGFR1GSK3AGSK3B
SCHEMBL432744 0.82 KDM4E (0.39) SCN9AMEN1KMT2AFGFR1
SCHEMBL432151 0.79 KDM4E (0.37) SCN9AMEN1KMT2AFGFR1
SCHEMBL432647 0.75 SCN9A (0.38) SCN9AGSK3AGSK3B
SCHEMBL431257 0.73 MCHR1 (0.34) SCN9AMEN1KMT2AGSK3AGSK3B
SCHEMBL431256 0.73 MCHR1 (0.34) SCN9AMEN1KMT2AGSK3AGSK3B
SCHEMBL432153 0.72 GSK3B (0.35) SCN9AGSK3AGSK3B
SCHEMBL432154 0.72 GSK3B (0.35) SCN9AGSK3AGSK3B
SCHEMBL431263 0.72 HDAC1 (0.37) SCN9AGSK3AGSK3B
SCHEMBL434762 0.68 SLC6A3 (0.45) GSK3AGSK3B

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