SCHEMBL20760858

SCHEMBL20760858

CN(C)S(=O)(=O)c1c(Cl)ccc(NC2=C(NC(c3ccc(F)cc3F)C(C)(C)C)C(=O)C2O)c1O

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 20/20 0.73

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
SCHEMBL20721168 0.85 CCR6 (1.00) CCR6
SCHEMBL20759824 0.81 CCR6 (0.68) CCR6
SCHEMBL20761610 0.77 CCR6 (0.70) CCR6
SCHEMBL20760444 0.75 CCR6 (0.72) CCR6
SCHEMBL20760274 0.74 CCR6 (0.71) CCR6
SCHEMBL20760157 0.74 CCR6 (0.68) CCR6
SCHEMBL20760156 0.72 CCR6 (0.69) CCR6
SCHEMBL20761137 0.69 CCR6 (0.69) CCR6
SCHEMBL19446771 0.69 CXCR2 (0.54) CCR6
SCHEMBL20721301 0.68 CCR6 (1.00) CCR6

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-2019036374-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. (US) 2019-02-21 — — WO disclosed
Send feedback