SCHEMBL20761362

SCHEMBL20761362

COCC1(Nc2c(Nc3ccc(Cl)c(SN(C)C)c3O)c(=O)c2=O)CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CCR6 P51684 20/20 0.71

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
SCHEMBL20760383 0.99 CCR6 (0.70) CCR6
SCHEMBL20760120 0.90 CCR6 (0.70) CCR6
SCHEMBL20759969 0.88 CCR6 (0.70) CCR6
SCHEMBL20760426 0.84 CCR6 (0.68) CCR6
SCHEMBL20761236 0.84 CCR6 (0.68) CCR6
SCHEMBL20721186 0.83 CCR6 (1.00) CCR6
SCHEMBL20760975 0.82 CCR6 (0.68) CCR6
SCHEMBL20761197 0.82 CCR6 (0.70) CCR6
SCHEMBL20721245 0.82 CCR6 (1.00) CCR6
SCHEMBL20760375 0.81 CCR6 (0.66) 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