SCHEMBL29691491

SCHEMBL29691491

COC(=O)c1cc(Br)cc(S(=O)(=O)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 16/20 0.58
▸ CXCR3 P49682 2/20 0.55
▸ PTGES O14684 1/20 0.55
▸ TAS2R8 Q9NYW2 1/20 0.55
▸ MEP1B Q16820 1/20 0.53

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
SCHEMBL23012238 1.00 TAS2R14 (0.58) TAS2R14CXCR3PTGESTAS2R8MEP1B
SCHEMBL23364657 0.83 TAS2R14 (0.66) TAS2R14CXCR3PTGESTAS2R8MEP1B
SCHEMBL29691439 0.83 TAS2R14 (0.54) TAS2R14CXCR3PTGESTAS2R8MEP1B
SCHEMBL23012258 0.83 TAS2R14 (0.54) TAS2R14CXCR3PTGESTAS2R8MEP1B
SCHEMBL23851055 0.82 TAS2R14 (0.56) TAS2R14CXCR3PTGESTAS2R8
SCHEMBL30646888 0.79 TAS2R14 (0.58) TAS2R14CXCR3PTGESTAS2R8MEP1B
SCHEMBL23012381 0.79 TAS2R14 (0.53) TAS2R14CXCR3PTGESTAS2R8MEP1B
SCHEMBL24477835 0.79 TAS2R14 (0.58) TAS2R14CXCR3PTGESTAS2R8MEP1B
SCHEMBL18740526 0.79 MEN1 (0.52) —
SCHEMBL1169358 0.79 TAS2R14 (0.82) TAS2R14CXCR3PTGESTAS2R8

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
CN-114555609-A Macrocyclic sulfonamide derivatives useful as NLRP3 inhibitors 英夫拉索姆有限公司 2022-05-27 — — CN disclosed
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