SCHEMBL8300843

SCHEMBL8300843

CCc1n[nH]c(O)c1C(=O)c1ccc(S(C)(=O)=O)c(-c2ccc(OC(F)(F)F)cc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
AR P10275 2/20 0.33
GRK6 P43250 1/20 0.33
THRB P10828 1/20 0.33
KIF11 P52732 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
PTGER4 P35408 1/20 0.32
NOTUM Q6P988 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
PTGS2 P35354 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31

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
SCHEMBL8306931 0.89 HEXA (0.34) GSK3BPTGS2POLB
SCHEMBL8300662 0.89 MAPT (0.38) POLBL3MBTL1
SCHEMBL8301326 0.89 CA12 (0.35) NOTUM
SCHEMBL8302118 0.88 DPP4 (0.35) POLB
SCHEMBL8301544 0.87 GHSR (0.34) PTGS2
SCHEMBL8301349 0.86 MEN1 (0.34) PTGS2PROKR1
SCHEMBL8305579 0.84 MAPT (0.33) POLB
SCHEMBL8300550 0.81 MAPT (0.37) GRK6
SCHEMBL8303758 0.80 HEXA (0.35) GRK6NOTUMPOLBL3MBTL1
SCHEMBL7807452 0.79 PIK3CA (0.32)

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-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed