SCHEMBL21742012

SCHEMBL21742012

CCCCC(OCC)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 5/20 0.49
KCNH2 Q12809 2/20 0.49
CYP2D6 P10635 3/20 0.46
KCNE1 P15382 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.40
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
SCN5A Q14524 1/20 0.39
KCND3 Q9UK17 1/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
CHRM2 P08172 2/20 0.39

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
SCHEMBL1807175 0.90 KCNA5 (0.51) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL17616810 0.89 KCNA5 (0.47) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL7448738 0.85 KCNA5 (0.50) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL21742265 0.85 KCNA5 (0.50) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL22421006 0.85 KCNA5 (0.46) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL7449955 0.84 KCNA5 (0.49) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL7452991 0.84 KCNA5 (0.49) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL21742059 0.84 KCNA5 (0.43) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL21742078 0.83 KCNA5 (0.50) KCNA5KCNH2CYP2D6KCNE1CYP1A2
SCHEMBL17616754 0.80 KCNA5 (0.45) KCNA5KCNH2CYP2D6KCNE1CYP1A2

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