SCHEMBL462030

SCHEMBL462030

O=C(Nc1cc(Cl)nnc1OC1CCN(C/C=C/c2ccc(F)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
CCR3 P51677 1/20 0.44
KMT2A Q03164 2/20 0.41
MCHR1 Q99705 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL462031 1.00 PLA2G1B (0.49) PLA2G1BATG4BCCR3KMT2AMCHR1
SCHEMBL433488 0.85 EBP (0.36) KMT2AMCHR1SMN1; SMN2LMNAMAPT
SCHEMBL461386 0.81 SLC6A3 (0.34) MCHR1SMN1; SMN2LMNA
SCHEMBL461387 0.81 SLC6A3 (0.34) MCHR1SMN1; SMN2LMNA
SCHEMBL74317 0.78 CCR3 (0.44) PLA2G1BATG4BCCR3KMT2AMCHR1
SCHEMBL74318 0.78 CCR3 (0.44) PLA2G1BATG4BCCR3KMT2AMCHR1
SCHEMBL432153 0.77 GSK3B (0.35) PLA2G1BATG4BMCHR1MAPT
SCHEMBL432154 0.77 GSK3B (0.35) PLA2G1BATG4BMCHR1MAPT
SCHEMBL953898 0.77 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2LMNAMAPTNPSR1
SCHEMBL953897 0.77 SMN1; SMN2 (0.46) KMT2ASMN1; SMN2LMNAMAPTNPSR1

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