SCHEMBL7029209

SCHEMBL7029209

CC(C)Oc1ccc(Oc2ccc(C#N)cc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.48
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TBXA2R P21731 6/20 0.44
ICMT O60725 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
KCNH2 Q12809 2/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A9 P48067 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
FFAR1 O14842 2/20 0.37
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
ERBB2 P04626 1/20 0.37

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
SCHEMBL524718 0.84 SLC6A9 (0.45) ARGAASMN1; SMN2ICMTGPR119
SCHEMBL12668049 0.84 GAA (0.53) ARGAASMN1; SMN2TBXA2RGPR119
SCHEMBL1981959 0.84 GAA (0.53) ARGAASMN1; SMN2TBXA2RGPR119
SCHEMBL18413022 0.84 GAA (0.47) ARGAASMN1; SMN2TBXA2RICMT
SCHEMBL118030 0.84 GAA (0.53) ARGAASMN1; SMN2TBXA2RGPR119
SCHEMBL10383063 0.84 GAA (0.50) ARGAASMN1; SMN2TBXA2RGPR119
SCHEMBL9644087 0.83 AR (0.59) ARGAATBXA2RKCNH2HTR2A
SCHEMBL28341259 0.83 GAA (0.52) ARGAASMN1; SMN2TBXA2RGPR119
SCHEMBL10383746 0.83 GAA (0.52) ARGAASMN1; SMN2TBXA2RGPR119
SCHEMBL10384832 0.83 GAA (0.52) ARGAASMN1; SMN2TBXA2RGPR119

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351571-A2 SELECTIVE HERBICIDES BASED UPON 2,6-DISUBSTITUTED PYRIDINE DERIVATIVES Bayer CropScience AG (DE) 2003-10-15 EP claimed
EP-1278413-A2 N-ARYL-URACILE-BASED HERBICIDES Bayer CropScience AG (DE) 2003-01-29 EP claimed
WO-2003000058-A1 SELECTIVE HERBICIDES BASED ON PYRIMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-01-03 WO claimed
WO-2001039597-A2 N-ARYL-URACILE-BASED HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-06-07 WO claimed
WO-2001035740-A2 SELECTIVE HERBICIDES BASED UPON 2,6-DISUBSTITUTED PYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-25 WO claimed
EP-1351571-A2 SELECTIVE HERBICIDES BASED UPON 2,6-DISUBSTITUTED PYRIDINE DERIVATIVES Bayer CropScience AG (DE) 2003-10-15 EP disclosed
WO-2001035740-A2 SELECTIVE HERBICIDES BASED UPON 2,6-DISUBSTITUTED PYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-05-25 WO disclosed