SCHEMBL31055689

SCHEMBL31055689

CC1CN(S(=O)(=O)NC(=O)Nc2c(C(C)C)cc(Cl)cc2C(C)C)CC(C)O1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 4/20 0.47
▸ ACLY P53396 1/20 0.43
▸ GSTO1 P78417 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL26975367 0.90 NLRP3 (0.42) NLRP3GSTO1ALDH1A1TSHR
SCHEMBL22460158 0.89 GSTO1 (0.41) NLRP3GSTO1ALDH1A1TSHR
SCHEMBL31055711 0.87 NLRP3 (0.47) NLRP3GSTO1
SCHEMBL31055699 0.87 NLRP3 (0.47) NLRP3GSTO1
SCHEMBL26975368 0.86 NLRP3 (0.50) NLRP3
SCHEMBL31055707 0.85 NLRP3 (0.47) NLRP3
SCHEMBL31055693 0.84 NLRP3 (0.48) NLRP3
SCHEMBL22460320 0.83 GAA (0.52) NLRP3
SCHEMBL31055732 0.83 NLRP3 (0.47) NLRP3GSTO1
SCHEMBL31055695 0.81 NLRP3 (0.48) NLRP3

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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