SCHEMBL31055694

SCHEMBL31055694

CC(=O)N1CCN(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(F)cc2C(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ NLRP3 Q96P20 4/20 0.37
▸ GSTO1 P78417 1/20 0.37

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
SCHEMBL26975352 0.89 NLRP3 (0.43) GAANLRP3
SCHEMBL31055701 0.88 NLRP3 (0.47) MEN1KMT2AGAAALDH1A1NLRP3
SCHEMBL22460322 0.87 GAA (0.52) MEN1KMT2AGAANLRP3GSTO1
SCHEMBL26975353 0.86 NLRP3 (0.51) NLRP3
SCHEMBL31055722 0.85 ACHE (0.41) GAANLRP3GSTO1
SCHEMBL31055720 0.85 GAA (0.39) GAANLRP3GSTO1
SCHEMBL31055704 0.84 GSTO1 (0.39) GAANLRP3GSTO1
SCHEMBL31055702 0.84 KCNT1 (0.41) GAAALDH1A1NLRP3GSTO1
SCHEMBL31055714 0.82 GAA (0.36) MEN1KMT2AGAAGSTO1
SCHEMBL20634276 0.82 ALDH1A1 (0.40) ALDH1A1NLRP3GSTO1

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
EP-3416948-B1 INDACENE BEARING SULFONYLUREAS AS ANTI-INFLAMMATORY AGENTS UNIV QUEENSLAND (AU) 2024-07-24 — — EP claimed
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