SCHEMBL12908808

SCHEMBL12908808

Cc1ccc(S(=O)(=O)n2c(C(=O)CN)cc3cc(C(F)(F)F)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 12/20 0.48
▸ PPARA Q07869 9/20 0.48
▸ PPARD Q03181 8/20 0.48
▸ NOD1 Q9Y239 4/20 0.47
▸ NOD2 Q9HC29 3/20 0.47
▸ ALOX5 P09917 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10003459 0.86 PPARG (0.46) PPARGPPARAPPARDNOD1NOD2
SCHEMBL12908515 0.84 NOD1 (0.50) PPARGPPARAPPARDNOD1NOD2
SCHEMBL12908486 0.84 ALOX5 (0.47) PPARGPPARAPPARDNOD1NOD2
SCHEMBL10313746 0.78 NOD1 (0.45) PPARGPPARAPPARDNOD1NOD2
SCHEMBL12908806 0.76 NOD2 (0.51) PPARGPPARAPPARDNOD1NOD2
SCHEMBL10313757 0.76 ALOX5 (0.41) PPARGPPARAPPARDNOD1NOD2
SCHEMBL10003969 0.76 ALOX5 (0.41) PPARGPPARAPPARDNOD1NOD2
SCHEMBL10003974 0.76 ALOX5 (0.41) PPARGPPARAPPARDNOD1NOD2
SCHEMBL29597969 0.74 PPARG (0.51) PPARGPPARAPPARDNOD1ALDH1A1
SCHEMBL28525103 0.74 PPARG (0.51) PPARGPPARAPPARDNOD1ALDH1A1

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
WO-2011016528-A1 AMINOPYRAZOLE DERIVATIVE 中外製薬株式会社 (JP) 2011-02-10 — — WO disclosed
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