SCHEMBL2363389

SCHEMBL2363389

Cn1nc(OCC(F)(F)F)c(F)c1OC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
SCN9A Q15858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CACNA1G O43497 2/20 0.32
CACNA1H O95180 2/20 0.32
CACNA1I Q9P0X4 2/20 0.32
JMJD6 Q6NYC1 1/20 0.31
GAA P10253 1/20 0.31
CNR2 P34972 3/20 0.31
MAP3K7 O43318 1/20 0.30
TAB1 Q15750 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL18241099 0.84 NR3C1 (0.35) PKMSCN9AL3MBTL1ALDH1A1CACNA1G
SCHEMBL2363051 0.84 CACNA1G (0.38) PKMSCN9AL3MBTL1ALDH1A1CACNA1G
SCHEMBL2363446 0.84 PKM (0.35) PKMSCN9AL3MBTL1ALDH1A1CACNA1G
SCHEMBL2363387 0.79 PKM (0.38) PKMSCN9AL3MBTL1ALDH1A1CACNA1G
SCHEMBL2363725 0.74 PKM (0.36) PKMSCN9ACACNA1GCACNA1HCACNA1I
SCHEMBL13365020 0.70 PKM (0.37) PKMSCN9AL3MBTL1CACNA1GCACNA1H
SCHEMBL2363049 0.70 CACNA1G (0.39) PKMSCN9AL3MBTL1ALDH1A1CACNA1G
SCHEMBL2363444 0.70 PKM (0.37) PKMSCN9AL3MBTL1ALDH1A1CACNA1G
SCHEMBL13930385 0.69 PKM (0.38) PKML3MBTL1ALDH1A1GAA
SCHEMBL18241096 0.69 PKM (0.51) PKMSCN9AL3MBTL1ALDH1A1CACNA1G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP disclosed
EP-2352723-A2 HALOGEN-SUBSTITUTED COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-08-10 EP disclosed
WO-2010051926-A2 NEW HALOGEN-SUBSTITUTED BONDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-14 WO disclosed