SCHEMBL11219476

SCHEMBL11219476

CC1(C)c2cc(C#N)ccc2OC1Cl

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 10/20 0.39
KDM4E B2RXH2 1/20 0.39
ABCC9 O60706 6/20 0.37
PTGS2 P35354 1/20 0.35

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
SCHEMBL11217887 0.81 KDM4E (0.41) ABCB1KDM4EABCC9
SCHEMBL11444000 0.78 ABCB1 (0.38) ABCB1KDM4EABCC9
SCHEMBL6584245 0.78 ABCB1 (0.38) ABCB1KDM4EABCC9PTGS2
SCHEMBL11444446 0.77 KDM4E (0.42) ABCB1KDM4EABCC9PTGS2
SCHEMBL11444455 0.75 ABCB1 (0.39) ABCB1
SCHEMBL11497683 0.75 ABCB1 (0.36) ABCB1KDM4EABCC9
SCHEMBL11216468 0.75 KCNE1 (0.38) ABCB1ABCC9
SCHEMBL11210696 0.75 ABCB1 (0.38) ABCB1KDM4EABCC9
SCHEMBL11461367 0.73 ABCB1 (0.40) ABCB1ABCC9
SCHEMBL11444447 0.73 ABCB1 (0.39) ABCB1KDM4EABCC9

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