SCHEMBL16049593

SCHEMBL16049593

CC(C)(C)CC1(O)CCN(C(=O)c2ccc(-c3ccc4cccc(S(N)(=O)=O)c4n3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 20/20 0.52

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
SCHEMBL16050149 0.89 PKLR (0.59) PKLR
SCHEMBL16049747 0.88 PKLR (0.55) PKLR
SCHEMBL16049777 0.88 PKLR (0.57) PKLR
SCHEMBL16049678 0.88 PKLR (0.53) PKLR
SCHEMBL16049797 0.85 PKLR (0.57) PKLR
SCHEMBL30517909 0.78 PKLR (0.57) PKLR
SCHEMBL28023821 0.78 PKLR (0.59) PKLR
SCHEMBL28023807 0.77 PKLR (0.52) PKLR
SCHEMBL30497037 0.75 CA12 (0.56) —
SCHEMBL16050784 0.74 PKLR (0.88) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970189-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS Agios Pharmaceuticals, Inc. (US) 2016-01-20 — — EP disclosed
WO-2014139325-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
WO-2014139144-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. (US) 2014-09-18 — — WO disclosed
Send feedback