SCHEMBL3786794

SCHEMBL3786794

CCc1cc(Cl)cc(OC)c1-c1c(OC(C)=O)c(C)nn(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.36
ADRA1D P25100 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
FPR2 P25090 2/20 0.35
PROKR1 Q8TCW9 2/20 0.35
ALOX5 P09917 2/20 0.35
CRHR1 P34998 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FPR1 P21462 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
CYP3A4 P08684 2/20 0.34
RECQL P46063 2/20 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
SCHEMBL512824 0.77 CDK8 (0.41) MAPTSMN1; SMN2ALDH1A1HPGDCYP1A2
SCHEMBL510530 0.73 MAPK8 (0.36) KMT2AMAPTSMN1; SMN2HTTCYP3A4
SCHEMBL469902 0.72 CRHR1 (0.34) CRHR1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL1517425 0.70 NR2F2 (0.34) MAPT
SCHEMBL919414 0.70 KMT2A (0.37) FPR2PROKR1MEN1KMT2AMAPT
SCHEMBL12481433 0.69 KDM4E (0.33) SMN1; SMN2FPR1ALDH1A1KDM4E
SCHEMBL514400 0.68 MMP1 (0.31) SMN1; SMN2
SCHEMBL27848177 0.68 ABCB11 (0.45) ALOX5MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL10926373 0.68 ABCB11 (0.53) ALOX5MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL512379 0.67 GABRA1 (0.35)

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
EP-2204366-A1 Herbicidal and insecticidal phenyl-substituted pyridazinones Bayer CropScience AG (DE) 2010-07-07 EP disclosed