SCHEMBL17469074

SCHEMBL17469074

Cc1cccc(C[N+]2([O-])Cc3ccccc3OC(c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
RORC P51449 1/20 0.33
MAOB P27338 7/20 0.33
CYP3A4 P08684 2/20 0.32
HRH1 P35367 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HPN P05981 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2C P18825 1/20 0.32
CNR1 P21554 1/20 0.32
DRD1 P21728 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
SCHEMBL17469010 0.83 GUSB (0.35) GUSBL3MBTL4L3MBTL1
SCHEMBL17469017 0.83 KDM1A (0.36) ALDH1A1MAPTMAOBMEN1KMT2A
SCHEMBL17459442 0.81 GUSB (0.37) KDM4EMAPTMAOBADORA3GUSB
SCHEMBL17468768 0.74 FFAR1 (0.35) HTR2AHTR2B
SCHEMBL17469075 0.73 GUSB (0.35) GUSB
SCHEMBL17468781 0.69 GUSB (0.36) KDM4EMAPTMAOBCYP3A4ADORA3
SCHEMBL17469015 0.66 CFTR (0.31)
SCHEMBL17468760 0.64 LDHA (0.35) CHRM2CHRM1HTR2AHTR2BL3MBTL1
SCHEMBL17459366 0.63
SCHEMBL14286082 0.63 MAOB (0.52) MAOBSLC6A2SLC6A4SLC6A3KMT2A

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-2016012333-A1 PESTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-28 WO disclosed