SCHEMBL28110779

SCHEMBL28110779

CS(=O)(=O)c1ccc(-c2cccnc2N)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.46
MAP4K4 O95819 1/20 0.46
KCNH2 Q12809 1/20 0.46
MINK1 Q8N4C8 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
HRH4 Q9H3N8 1/20 0.46
PTGS2 P35354 5/20 0.46
NR1H2 P55055 4/20 0.46
NR1H3 Q13133 4/20 0.46
RXRA P19793 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
PTGS1 P23219 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
CYP17A1 P05093 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
KIF11 P52732 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39

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
SCHEMBL28160344 0.75 PTGS2 (0.49) PTGS2NR1H2NR1H3RXRAPTGDR2
SCHEMBL9317262 0.75 HSD11B1 (0.43) MAP4K4SLC22A12ALOX5APFEN1
SCHEMBL28111372 0.75 PTGS2 (0.58) PTGS2NR1H2NR1H3PTGS1
SCHEMBL5350907 0.74 PTGS2 (0.63) PIK3CAMAP4K4KCNH2MINK1PI4KB
SCHEMBL31332078 0.73 HRH4 (0.43) PIK3CAMAP4K4KCNH2MINK1PI4KB
SCHEMBL28160376 0.73 PTGS2 (0.54) PTGS2NR1H2NR1H3PTGDR2PTGS1
SCHEMBL6514474 0.72 FFAR4 (0.54) PIK3CAMAP4K4KCNH2MINK1PI4KB
SCHEMBL1255100 0.71 SLC22A12 (0.43) NR1H2NR1H3SLC22A12
SCHEMBL2223573 0.70 KCNH2 (0.71) PIK3CAMAP4K4KCNH2MINK1PI4KB
SCHEMBL5701303 0.69 ALOX5AP (0.49) MAP4K4PTGS2PTGS1ALOX5APFEN1

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
CN-106188040-A A kind of Fevipiprant and the preparation method of intermediate thereof 浙江宏鑫染化材料有限公司 2016-12-07 CN claimed
CN-106188040-B A kind of Fevipiprant and its intermediate preparation method 浙江宏鑫染化材料有限公司 2018-03-23 CN disclosed
CN-106188040-A A kind of Fevipiprant and the preparation method of intermediate thereof 浙江宏鑫染化材料有限公司 2016-12-07 CN disclosed