SCHEMBL432649

SCHEMBL432649

O=C(Nc1cc(Cl)c(Cl)cc1OC1CN(CC=Cc2ccc(Cl)cc2)C1)c1ccnc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MCHR1 Q99705 1/20 0.36
LMNA P02545 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
PDE4D Q08499 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL432012 1.00 KDM4E (0.37) KDM4ENPSR1MCHR1LMNAMEN1
SCHEMBL432987 0.86 MAPT (0.37) NPSR1MCHR1LMNAPROKR1MAPT
SCHEMBL432986 0.86 MAPT (0.37) NPSR1MCHR1LMNAPROKR1MAPT
SCHEMBL435038 0.86 MCHR1 (0.34) MCHR1LMNAMEN1KMT2APROKR1
SCHEMBL431256 0.86 MCHR1 (0.34) MCHR1LMNAMEN1KMT2APROKR1
SCHEMBL435039 0.86 MCHR1 (0.34) MCHR1LMNAMEN1KMT2APROKR1
SCHEMBL431257 0.86 MCHR1 (0.34) MCHR1LMNAMEN1KMT2APROKR1
SCHEMBL433488 0.86 EBP (0.36) KDM4ENPSR1MCHR1LMNAMEN1
SCHEMBL432154 0.84 GSK3B (0.35) MCHR1PROKR1MAPTEBPSIGMAR1
SCHEMBL432153 0.84 GSK3B (0.35) MCHR1PROKR1MAPTEBPSIGMAR1

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