SCHEMBL25832722

SCHEMBL25832722

Cc1ccc(C(C)(C)O)cc1C(=O)NCNC(=O)Nc1c2c(cc3c1CCC3)CCC2

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 19/20 0.51
▸ CA2 P00918 1/20 0.47

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
SCHEMBL25830256 0.74 NLRP3 (0.53) NLRP3
SCHEMBL24592584 0.71 NLRP3 (0.52) NLRP3CA2
SCHEMBL19519040 0.70 NLRP3 (0.74) NLRP3CA2
SCHEMBL26009242 0.70 NLRP3 (0.48) NLRP3CA2
SCHEMBL29804706 0.70 NLRP3 (0.58) NLRP3CA2
SCHEMBL20692216 0.69 NLRP3 (0.44) NLRP3CA2
SCHEMBL25832725 0.68 CYP17A1 (0.40) —
SCHEMBL21879143 0.68 NLRP3 (1.00) NLRP3
SCHEMBL29749035 0.68 GSTO1 (0.66) NLRP3CA2
SCHEMBL19518879 0.68 NLRP3 (0.48) NLRP3CA2

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-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 — — EP disclosed
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