SCHEMBL19981361

SCHEMBL19981361

CC[S+]([O-])CC(=O)c1ncc(-c2ccc(OC(F)(F)F)cc2)n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 1/20 0.42
ATP1B1 P05026 1/20 0.42
ATP1A3 P13637 1/20 0.42
ATP1B2 P14415 1/20 0.42
ATP1A2 P50993 1/20 0.42
ATP1B3 P54709 1/20 0.42
FXYD2 P54710 1/20 0.42
ATP1A4 Q13733 1/20 0.42
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3B P49841 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
GRIN2B Q13224 1/20 0.35
SCN10A Q9Y5Y9 4/20 0.35
KDM5A P29375 1/20 0.35
KDM2B Q8NHM5 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
SCHEMBL19973142 0.82 ATP1A1 (0.47) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL21182237 0.81 ATP1A1 (0.45) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL19981360 0.81 ATP1A1 (0.43) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL19981359 0.81 ATP1A1 (0.43) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL24238509 0.74 ATP1A1 (0.49) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL28754520 0.71 ATP1A1 (0.40) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL21895300 0.71
SCHEMBL24460261 0.70 ATP1A1 (0.55) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL21182215 0.67 ATP1A1 (0.39) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL25260101 0.66 IDO1 (0.56) MAPTMEN1KMT2ATP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514146-A1 DIARYL AZOLE COMPOUND AND PESTICIDE Nippon Soda Co., Ltd. (JP) 2019-07-24 EP disclosed
WO-2018052035-A1 DIARYL AZOLE COMPOUND AND PESTICIDE 日本曹達株式会社 2018-03-22 WO disclosed