SCHEMBL7617355

SCHEMBL7617355

CC(C)c1cc(Cl)cc(C(C)C)c1NC(=O)NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1.NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.63
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
FBP1 P09467 2/20 0.43
GSTO1 P78417 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL7613905 0.96 NLRP3 (0.61) NLRP3ALDH1A1LMNAFBP1GSTO1
SCHEMBL7137648 0.95 NLRP3 (0.69) NLRP3ALDH1A1LMNAFBP1GSTO1
SCHEMBL7144737 0.91 NLRP3 (0.66) NLRP3ALDH1A1LMNAFBP1GSTO1
SCHEMBL7142667 0.91 NLRP3 (0.74) NLRP3FBP1CA12CA1CA2
SCHEMBL7612024 0.87 NLRP3 (0.69) NLRP3FBP1CA12CA1CA2
SCHEMBL7616938 0.87 NLRP3 (0.69) NLRP3FBP1CA12CA1CA2
SCHEMBL7621810 0.84 NLRP3 (0.68) NLRP3LMNAFBP1GSTO1CA12
SCHEMBL7614656 0.84 NLRP3 (0.65) NLRP3ALDH1A1LMNAFBP1CA12
SCHEMBL7617403 0.83 NLRP3 (0.66) NLRP3ALDH1A1LMNAFBP1CA12
SCHEMBL7140501 0.82 NLRP3 (0.75) NLRP3CA12CA1CA2CA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214087-A1 COMBINATION TREATMENT WITH IL-1RA AND COMPOUNDS THAT INHIBIT IL-1 PROCESSING AND RELEASE Pfizer Products Inc. (US) 2002-06-19 EP disclosed
WO-2001019390-A1 COMBINATION TREATMENT WITH IL-1RA AND DIARYL SULPHONYL UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2001-03-22 WO disclosed