SCHEMBL17655083

SCHEMBL17655083

O=C(Cc1ccccc1)Nc1nnc(CCCCCc2nnc(NC(=O)Oc3cccnc3)s2)s1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GLS O94925 20/20 0.81

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
SCHEMBL17655085 0.95 GLS (0.78) GLS
SCHEMBL17655086 0.91 GLS (0.98) GLS
SCHEMBL14987305 0.90 GLS (1.00) GLS
SCHEMBL17655081 0.90 GLS (0.68) GLS
SCHEMBL14987336 0.87 GLS (1.00) GLS
SCHEMBL17655252 0.85 GLS (0.65) GLS
SCHEMBL17193295 0.85 GLS (0.95) GLS
SCHEMBL15724898 0.84 GLS (0.98) GLS
SCHEMBL14987335 0.83 GLS (1.00) GLS
SCHEMBL15724900 0.83 GLS (1.00) 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