SCHEMBL13989673

SCHEMBL13989673

Cc1c(N)c(NCC(C)O)nc(Nc2ccccc2)c1/N=N/c1ccc(S(=O)(=O)CCN(CC(C)O)CC(C)O)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL12726000 0.89 GAA (0.32) GAAMAPTMAPK1
SCHEMBL12704537 0.89 CA1 (0.34) MAPT
SCHEMBL12704538 0.87 CA1 (0.34) MAPT
SCHEMBL12725999 0.86 GAA (0.32) GAAMAPTMAPK1
SCHEMBL13989649 0.84 THRB (0.32) —
SCHEMBL14541233 0.83 CA1 (0.32) —
SCHEMBL14541231 0.81 CA1 (0.32) —
SCHEMBL12726057 0.81 ALK (0.32) MAPTMAPK1
SCHEMBL12704512 0.78 CCNA2 (0.35) GAAMAPTMAPK1
SCHEMBL12704545 0.78 CCNA2 (0.33) GAAMAPT

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-20080312352-A1 Dyes and Dye Mixtures for Dying Polymers, Method for the Production Thereof and Their Use DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2008-12-18 — — US disclosed
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