SCHEMBL17655253

SCHEMBL17655253

O=C(Cc1ccc(O)cc1)Nc1nnc(CCCCc2nnc(NC(=O)Oc3ccc(O)cc3)s2)s1

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.80

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
SCHEMBL15727698 0.89 GLS (1.00) GLS
SCHEMBL14987305 0.88 GLS (1.00) GLS
SCHEMBL17655086 0.87 GLS (0.98) GLS
SCHEMBL17432943 0.85 GLS (1.00) GLS
SCHEMBL15043798 0.82 GLS (1.00) GLS
SCHEMBL16306822 0.80 GLS (0.95) GLS
SCHEMBL15748916 0.80 GLS (0.80) GLS
SCHEMBL17193491 0.80 GLS (0.82) GLS
SCHEMBL14987311 0.79 GLS (1.00) GLS
SCHEMBL17655083 0.79 GLS (0.81) GLS

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
US-9303002-B2 Compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2016-04-05 US disclosed