SCHEMBL16451436

SCHEMBL16451436

CC1(C)Cc2c(sc(NC(=O)c3ccnn3CO)c2C(N)=O)C(C)(C)O1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 20/20 0.64

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
SCHEMBL16445497 0.89 CFTR (0.60) CFTR
SCHEMBL16446010 0.88 CFTR (0.58) CFTR
SCHEMBL16445597 0.87 CFTR (0.67) CFTR
SCHEMBL20496295 0.87 CFTR (0.66) CFTR
SCHEMBL16445356 0.85 CFTR (0.64) CFTR
SCHEMBL16445648 0.79 CFTR (0.73) CFTR
SCHEMBL16445388 0.79 CFTR (0.68) CFTR
SCHEMBL16444982 0.78 CFTR (1.00) CFTR
SCHEMBL18196096 0.78 CFTR (0.71) CFTR
SCHEMBL16445859 0.77 CFTR (0.65) CFTR

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-2015018823-A1 THIENO[2,3-C]PYRANS AS CFTR MODULATORS GALAPAGOS NV (BE) 2015-02-12 — — WO disclosed
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