SCHEMBL6510658

SCHEMBL6510658

CNC1CCN(c2cccc(OC(F)F)c2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.53
ROCK1 Q13464 2/20 0.50
HDAC6 Q9UBN7 2/20 0.43
CACNA2D1 P54289 2/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL6507548 0.85 ROCK2 (0.53) ROCK2ROCK1HDAC6
SCHEMBL7608380 0.85 ROCK2 (0.53) ROCK2ROCK1HDAC6
SCHEMBL7604788 0.85 ROCK2 (0.53) ROCK2ROCK1HDAC6
SCHEMBL7819700 0.81 ROCK2 (0.46) ROCK2ROCK1
SCHEMBL19513366 0.79 HDAC1 (0.58) HDAC6HDAC1HDAC8
SCHEMBL19513372 0.79 HDAC1 (0.58) HDAC6HDAC1HDAC8
SCHEMBL6508427 0.77 CA12 (0.62) HDAC6HDAC1HDAC8
SCHEMBL6508236 0.77 ROCK2 (0.38) ROCK2ROCK1
SCHEMBL21419972 0.76 ROCK2 (0.75) ROCK2ROCK1
SCHEMBL8788443 0.74 CA12 (0.43) ROCK2HDAC6HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005000824-A1 LAZOLIDINE DERIVATIVES AS HERBICIDAL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-01-06 WO disclosed
CN-1322195-A Substituted pyrroldinone, thizolidinone or oxazolidinone as herbicides ZENECA LTD (GB) 2001-11-14 CN disclosed
EP-1119547-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES Syngenta Limited (GB) 2001-08-01 EP disclosed
WO-2000021928-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES SYNGENTA LIMITED (GB) 2000-04-20 WO disclosed
EP-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO disclosed