SCHEMBL28023807

SCHEMBL28023807

CC(C)(C)CC1(O)CCN(C(=O)c2ccc(-c3ccc(S(N)(=O)=O)c4ncccc34)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
SCHEMBL28820991 0.89 PKLR (0.64) PKLR
SCHEMBL28023218 0.84 PKLR (0.58) PKLR
SCHEMBL28820934 0.84 PKLR (0.68) PKLR
SCHEMBL16049700 0.78 PKLR (0.81) PKLR
SCHEMBL28023239 0.78 PKLR (0.64) PKLR
SCHEMBL16049593 0.77 PKLR (0.52) PKLR
SCHEMBL16050784 0.73 PKLR (0.88) PKLR
SCHEMBL21976367 0.72 PKLR (0.61) PKLR
SCHEMBL16049648 0.70 PKLR (0.82) PKLR
SCHEMBL28820989 0.69 PKLR (0.60) 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
CN-105121425-A Therapeutic compounds and compositions AGIOS PHARMACEUTICALS INC 2015-12-02 — — CN disclosed
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