SCHEMBL11216468

SCHEMBL11216468

CCOC1Oc2ccc(C#N)cc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 4/20 0.38
KCNQ1 P51787 4/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
KCND3 Q9UK17 1/20 0.38
ABCB1 P08183 13/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ABCC9 O60706 1/20 0.33

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
SCHEMBL11453293 0.89 KCNE1 (0.39) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL11461359 0.85 ABCB1 (0.37) KCNE1KCNQ1ABCB1
SCHEMBL11444000 0.84 ABCB1 (0.38) CYP1A2CYP2D6CYP2C19ABCB1ABCC9
SCHEMBL11444447 0.81 ABCB1 (0.39) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL11444455 0.81 ABCB1 (0.39) ABCB1
SCHEMBL9066178 0.80 AKR1B1 (0.37) MEN1KMT2ACHRM2CHRM4CHRM5
SCHEMBL11444446 0.80 KDM4E (0.42) CYP1A2CYP3A4CYP2D6CYP2C19ABCB1
SCHEMBL11451772 0.79 KCNE1 (0.38) KCNE1KCNQ1MEN1CYP1A2CYP3A4
SCHEMBL11319914 0.78 GAA (0.47)
SCHEMBL13492306 0.77 PDK2 (0.38) MEN1CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 EP claimed
US-4333759-A Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones FISONS LIMITED (GB) 1982-06-08 US disclosed
US-4263037-A 5-Cyano-2,3-dihydrobenzofurans useful as herbicides FISONS LIMITED (GB) 1981-04-21 US disclosed
EP-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 EP disclosed