SCHEMBL435039

SCHEMBL435039

Nc1nc(OC2CN(CC=Cc3ccc(Cl)cc3)C2)c(NC(=O)c2ccnc(Cl)c2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.34
SCN9A Q15858 2/20 0.33
PROKR1 Q8TCW9 1/20 0.33
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GSK3A P49840 3/20 0.32
GSK3B P49841 3/20 0.32
LMNA P02545 3/20 0.32
MAPT P10636 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31

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
SCHEMBL435038 1.00 MCHR1 (0.34) MCHR1SCN9APROKR1EBPSIGMAR1
SCHEMBL431257 0.91 MCHR1 (0.34) MCHR1SCN9APROKR1EBPSIGMAR1
SCHEMBL431256 0.91 MCHR1 (0.34) MCHR1SCN9APROKR1EBPSIGMAR1
SCHEMBL432153 0.88 GSK3B (0.35) MCHR1SCN9APROKR1EBPSIGMAR1
SCHEMBL432154 0.88 GSK3B (0.35) MCHR1SCN9APROKR1EBPSIGMAR1
SCHEMBL432986 0.88 MAPT (0.37) MCHR1SCN9APROKR1EBPSIGMAR1
SCHEMBL432987 0.88 MAPT (0.37) MCHR1SCN9APROKR1EBPSIGMAR1
SCHEMBL433488 0.87 EBP (0.36) MCHR1SCN9APROKR1EBPSIGMAR1
SCHEMBL432649 0.86 KDM4E (0.37) MCHR1PROKR1EBPSIGMAR1GSK3A
SCHEMBL432012 0.86 KDM4E (0.37) MCHR1PROKR1EBPSIGMAR1GSK3A

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