SCHEMBL18332408

SCHEMBL18332408

Cc1ccc(S(=O)(=O)n2c(C(=O)CC#N)cc3cc(C)c(NS(C)(=O)=O)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 5/20 0.42
▸ NOD2 Q9HC29 4/20 0.42
▸ ALOX5 P09917 1/20 0.38
▸ PPARG P37231 2/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ LMNA P02545 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL18332193 0.85 GAA (0.39) ALOX5L3MBTL1GAAMAPT
SCHEMBL18332156 0.85 NOD1 (0.44) NOD1NOD2ALOX5PPARGPPARD
SCHEMBL18331942 0.83 ALOX5 (0.42) NOD1NOD2ALOX5PPARGPPARD
SCHEMBL18331706 0.83 NOD1 (0.41) NOD1NOD2ALOX5PPARGPPARD
SCHEMBL10004054 0.83 NOD1 (0.51) NOD1NOD2ALOX5PPARGPPARD
SCHEMBL10003474 0.82 NOD1 (0.46) NOD1NOD2ALOX5PPARGPPARD
SCHEMBL18332411 0.82 NOD2 (0.65) NOD1NOD2ALOX5LMNAL3MBTL1
SCHEMBL18332188 0.80 NOD1 (0.41) NOD1NOD2ALOX5PPARGPPARD
SCHEMBL16792477 0.80 NOD1 (0.65) NOD1NOD2ALOX5PPARGLMNA
SCHEMBL18332371 0.79 ALOX5 (0.39) NOD1NOD2ALOX5PPARGPPARD

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-2016204261-A1 AMINOPYRAZOLE DERIVATIVES 中外製薬株式会社 2016-12-22 — — WO disclosed
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