SCHEMBL4583426

SCHEMBL4583426

CC1(O)OC(=O)C(c2ccccc2F)=C1c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.51
PTGS1 P23219 2/20 0.36
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDK2 Q15119 1/20 0.34
MAPK14 Q16539 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
LTK P29376 1/20 0.33
CDK5 Q00535 1/20 0.33
MST1R Q04912 1/20 0.33
DYRK1A Q13627 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33

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
SCHEMBL4583216 0.86 PTGS2 (0.52) PTGS2PTGS1MEN1KMT2A
SCHEMBL4582575 0.85 PTGS2 (0.51) PTGS2PTGS1MAPTKMT2AMAPK14
SCHEMBL3617636 0.81 PTGS2 (0.50) PTGS2PTGS1MAPTADORA2AADORA1
SCHEMBL4582396 0.81 PTGS2 (0.47) PTGS2PTGS1MAPT
SCHEMBL4583119 0.80 PTGS2 (0.39) PTGS2PTGS1MEN1MAPTKMT2A
SCHEMBL4582348 0.80 PTGS2 (0.47) PTGS2PTGS1MAPT
SCHEMBL4581906 0.80 PTGS2 (0.47) PTGS2PTGS1MAPTPDK2ADORA2A
SCHEMBL4583198 0.75 PTGS2 (0.52) PTGS2PTGS1MAPT
SCHEMBL2356409 0.75 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL4583796 0.72 PTGS2 (0.52) PTGS2PTGS1MEN1MAPTKMT2A

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-1972623-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-09-24 EP disclosed