SCHEMBL21742015

SCHEMBL21742015

CCOC(c1ccccn1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.45
KCNH2 Q12809 4/20 0.45
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 2/20 0.43
CYP2D6 P10635 3/20 0.42
KCNE1 P15382 1/20 0.42
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 4/20 0.40
CHRM2 P08172 4/20 0.40
ADRA2B P18089 3/20 0.40
HRH1 P35367 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
LMNA P02545 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL21742104 0.86 KCNA5 (0.46) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL15280655 0.81 KCNA5 (0.47) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL20278799 0.81 KCNA5 (0.41) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL7447817 0.81 SLC6A3 (0.45) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL21742354 0.80 TSHR (0.39) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL15704684 0.79 KCNA5 (0.49) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL28012567 0.79 KCNA5 (0.49) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL21742266 0.79 SLC6A3 (0.44) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL24697153 0.79 KCNA5 (0.43) KCNA5KCNH2MEN1GAAKMT2A
SCHEMBL21742017 0.77 KCNH2 (0.44) KCNA5KCNH2MEN1GAAKMT2A

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