SCHEMBL21976449

SCHEMBL21976449

Cc1cccc(CC2(O)CCN(C(=O)c3ccc(N[S+]([O-])c4cccc5cccnc45)cc3)CC2)c1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 20/20 0.70

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
SCHEMBL21976382 0.90 PKLR (0.71) PKLR
SCHEMBL21976446 0.88 PKLR (0.71) PKLR
SCHEMBL21976674 0.83 PKLR (0.67) PKLR
SCHEMBL21976702 0.83 PKLR (0.69) PKLR
SCHEMBL21976225 0.83 PKLR (0.71) PKLR
SCHEMBL21977174 0.83 PKLR (0.70) PKLR
SCHEMBL21976312 0.82 PKLR (0.66) PKLR
SCHEMBL16049750 0.82 PKLR (1.00) PKLR
SCHEMBL17320173 0.82 PKLR (0.67) PKLR
SCHEMBL21976381 0.80 PKLR (0.68) PKLR

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-2970189-B1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS INC (US) 2020-05-06 — — EP disclosed
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