SCHEMBL23063246

SCHEMBL23063246

COc1ccc(Cn2nc(Nc3c4c(cc5c3CCC5)CCC4)nc2S(=O)(=O)c2ccc(CN(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.43
▸ TYMS P04818 4/20 0.41
▸ PIK3CD O00329 1/20 0.36
▸ PIK3CG P48736 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MMP1 P03956 2/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ MMP13 P45452 2/20 0.34
▸ ADAM17 P78536 2/20 0.34
▸ CHRM2 P08172 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
SCHEMBL23063518 0.76 MMP9 (0.41) TYMSPIK3CDMMP1MMP9MMP13
SCHEMBL23063210 0.69 NLRP3 (0.37) NLRP3
SCHEMBL23063234 0.69 NLRP3 (0.39) NLRP3
SCHEMBL23063153 0.68 TAS2R14 (0.40) MMP1MMP9MMP13ADAM17
SCHEMBL29492915 0.64 NLRP3 (0.71) NLRP3
SCHEMBL23852216 0.64 NLRP3 (0.71) NLRP3
SCHEMBL21893169 0.64 NLRP3 (0.46) NLRP3
SCHEMBL21892936 0.64 NLRP3 (0.46) NLRP3
SCHEMBL20692036 0.64 NLRP3 (0.46) NLRP3
SCHEMBL23063244 0.63 MAPT (0.46) —

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-3788041-A1 NOVEL COMPOUNDS Inflazome Limited (IE) 2021-03-10 — — EP disclosed
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