SCHEMBL21742279

SCHEMBL21742279

CCOC(CC(C)C)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.46
KCNH2 Q12809 2/20 0.46
CYP2D6 P10635 2/20 0.44
KCNE1 P15382 1/20 0.44
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.41
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
SCN5A Q14524 1/20 0.37
KCND3 Q9UK17 1/20 0.37
CHRM2 P08172 2/20 0.36
SCN1A P35498 1/20 0.36

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
SCHEMBL21742090 0.87 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL21742078 0.84 KCNA5 (0.50) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL7451904 0.84 KCNA5 (0.46) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL21742093 0.83 KCNA5 (0.45) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL21742392 0.81 KCNA5 (0.39) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL22421006 0.80 KCNA5 (0.46) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL15280655 0.79 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL21742012 0.79 KCNA5 (0.49) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL28538787 0.79 KCNA5 (0.45) KCNA5KCNH2CYP2D6KCNE1MEN1
SCHEMBL21742316 0.78 KCNA5 (0.44) KCNA5KCNH2CYP2D6KCNE1MEN1

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-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed