SCHEMBL433488

SCHEMBL433488

O=C(Nc1cc(Cl)nnc1OC1CN(C/C=C/c2ccc(Cl)cc2)C1)c1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MCHR1 Q99705 1/20 0.35
LMNA P02545 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
DHCR7 Q9UBM7 1/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
USP2 O75604 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL461386 0.95 SLC6A3 (0.34) EBPSIGMAR1MCHR1LMNASMN1; SMN2
SCHEMBL461387 0.95 SLC6A3 (0.34) EBPSIGMAR1MCHR1LMNASMN1; SMN2
SCHEMBL432986 0.91 MAPT (0.37) EBPSIGMAR1MCHR1LMNASMN1; SMN2
SCHEMBL432987 0.91 MAPT (0.37) EBPSIGMAR1MCHR1LMNASMN1; SMN2
SCHEMBL432154 0.88 GSK3B (0.35) EBPSIGMAR1MCHR1PROKR1MAPT
SCHEMBL432153 0.88 GSK3B (0.35) EBPSIGMAR1MCHR1PROKR1MAPT
SCHEMBL435039 0.87 MCHR1 (0.34) EBPSIGMAR1MCHR1LMNASMN1; SMN2
SCHEMBL431256 0.87 MCHR1 (0.34) EBPSIGMAR1MCHR1LMNASMN1; SMN2
SCHEMBL431257 0.87 MCHR1 (0.34) EBPSIGMAR1MCHR1LMNASMN1; SMN2
SCHEMBL435038 0.87 MCHR1 (0.34) EBPSIGMAR1MCHR1LMNASMN1; SMN2

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