SCHEMBL7861157

SCHEMBL7861157

CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)c[nH]2)c(-c2ccc(Br)cc2)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 4/20 0.35
ALOX5AP P20292 3/20 0.35
PTGS2 P35354 9/20 0.34
KDM4E B2RXH2 2/20 0.33
PLCG1 P19174 1/20 0.33
MITF O75030 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
STAT3 P40763 1/20 0.33
STAT1 P42224 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR9 Q9NR96 1/20 0.33
MAP4K4 O95819 1/20 0.31
PIK3CA P42336 1/20 0.31
KCNH2 Q12809 1/20 0.31
MINK1 Q8N4C8 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
PTGS1 P23219 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
SCHEMBL7861143 0.88 PTGS2 (0.39) FEN1ALOX5APPTGS2KDM4EMITF
SCHEMBL16661274 0.72 KDM4E (0.45) KDM4ELMNASMN1; SMN2
SCHEMBL7775612 0.72 POLB (0.44) FEN1ALOX5APPTGS2KDM4EMITF
SCHEMBL5597397 0.70 PTGS2 (0.50) PTGS2KDM4EMITFALDH1A1LMNA
SCHEMBL6532907 0.70 PTGS2 (0.50) PTGS2MAP4K4PIK3CAKCNH2MINK1
SCHEMBL25276213 0.69 NT5E (0.38) FEN1ALOX5APKDM4E
SCHEMBL7855636 0.69 ALOX5AP (0.31) FEN1ALOX5APPTGS2RAB9ASMN1; SMN2
SCHEMBL27174299 0.69 ALOX5AP (0.43) FEN1ALOX5APPTGS2PTGS1
SCHEMBL27031500 0.68 NT5E (0.37) PTGS2KDM4E
SCHEMBL7144668 0.68 PTGS2 (0.49) PTGS2MAP4K4PIK3CAKCNH2MINK1

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-1086097-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER INC. (US) 2001-03-28 EP disclosed
WO-1999064415-A1 SULFONYLBENZENE COMPOUNDS AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PHARMACEUTICALS INC. (JP) 1999-12-16 WO disclosed