SCHEMBL13604277

SCHEMBL13604277

C=CS(=O)(=O)CCOCCNc1nc(F)nc(Nc2ccc(/N=N/c3cc4c(S(=O)(=O)O)cc(SOOO)cc4cc3S(=O)(=O)O)c(NC(N)=O)c2)n1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 2/20 0.31

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
SCHEMBL13881094 0.90 CA12 (0.33) KCNH3
SCHEMBL13599485 0.85 FUT8 (0.32) —
SCHEMBL13604238 0.83 CA12 (0.30) —
SCHEMBL13599474 0.83 CA12 (0.30) —
SCHEMBL13604282 0.83 ENPP2 (0.33) KCNH3
SCHEMBL13599481 0.82 MEN1 (0.31) —
SCHEMBL13604272 0.81 KCNH3 (0.33) KCNH3
SCHEMBL13611632 0.81 KCNH3 (0.33) KCNH3
SCHEMBL12377651 0.80 FUT8 (0.38) —
SCHEMBL12053422 0.80 FUT8 (0.38) —

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-20090320217-A1 MIXTURES OF FIBRE-REACTIVE AZO DYES DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-12-31 — — US disclosed
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