SCHEMBL7861143

SCHEMBL7861143

Cc1cc(-c2c(-c3nc(C(F)(F)F)c[nH]3)ccc(S(C)(=O)=O)c2F)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.39
PTGS1 P23219 8/20 0.36
TYMP P19971 1/20 0.34
SDHB P21912 2/20 0.33
KDM4E B2RXH2 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
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL7861157 0.88 FEN1 (0.35) PTGS2PTGS1SDHBKDM4EMITF
SCHEMBL5597397 0.70 PTGS2 (0.50) PTGS2PTGS1KDM4EMITFALDH1A1
SCHEMBL7144668 0.70 PTGS2 (0.49) PTGS2PTGS1SDHB
SCHEMBL7775612 0.69 POLB (0.44) PTGS2SDHBKDM4EMITFALDH1A1
SCHEMBL27174299 0.68 ALOX5AP (0.43) PTGS2PTGS1ALOX5APFEN1
SCHEMBL27031500 0.68 NT5E (0.37) PTGS2KDM4E
SCHEMBL6532907 0.68 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6516190 0.67 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL25281827 0.67 KDM4E (0.37) PTGS2PTGS1TYMPKDM4E
SCHEMBL6448449 0.65 SDHB (0.52) PTGS2PTGS1SDHB

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