SCHEMBL16083913

SCHEMBL16083913

O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(CC2=CC=CCC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 20/20 0.72

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
SCHEMBL16083758 0.84 PKLR (0.86) PKLR
SCHEMBL16049772 0.84 PKLR (1.00) PKLR
SCHEMBL16084007 0.83 PKLR (0.54) PKLR
SCHEMBL16083965 0.83 PKLR (1.00) PKLR
SCHEMBL12964719 0.83 PKLR (0.58) PKLR
SCHEMBL16049630 0.83 PKLR (1.00) PKLR
SCHEMBL16049576 0.83 PKLR (0.86) PKLR
SCHEMBL16083893 0.83 PKLR (1.00) PKLR
SCHEMBL16050784 0.83 PKLR (0.88) PKLR
SCHEMBL16049785 0.82 PKLR (1.00) 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
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
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