SCHEMBL22787679

SCHEMBL22787679

CC(F)(F)CCS(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.35
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL778548 0.80 NLRP3 (0.36) NLRP3
SCHEMBL2625547 0.77 NLRP3 (0.38) NLRP3
SCHEMBL19764245 0.76 PTGS1 (0.38)
SCHEMBL20499363 0.76
SCHEMBL14151428 0.72 GRM4 (0.37) NLRP3CA1
SCHEMBL21557564 0.72
SCHEMBL24685655 0.72 CES1 (0.33)
SCHEMBL31310570 0.71
SCHEMBL14814813 0.70 ALDH1A1 (0.35) NLRP3
SCHEMBL14003210 0.70 NLRP3 (0.33) 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
WO-2020252165-A1 QUINAZOLINYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2020-12-17 WO disclosed