SCHEMBL9394652

SCHEMBL9394652

CCCC(=O)c1cnc2c(OCCSC)cccc2c1Nc1ccccc1C.CCCC(=O)c1cnc2c(OCC[S+](C)[O-])cccc2c1Nc1ccccc1C

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.66
▸ ATP4B P51164 1/20 0.66

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
SCHEMBL8187635 0.94 ATP4A (0.73) ATP4AATP4B
SCHEMBL8188046 0.93 ATP4A (0.76) ATP4AATP4B
SCHEMBL8193199 0.90 ATP4A (0.72) ATP4AATP4B
SCHEMBL8178451 0.88 ATP4A (0.64) ATP4AATP4B
SCHEMBL8189693 0.88 ATP4A (0.75) ATP4AATP4B
SCHEMBL8187339 0.86 ATP4A (0.66) ATP4AATP4B
SCHEMBL8194310 0.86 ATP4A (0.60) ATP4AATP4B
SCHEMBL8190801 0.86 ATP4A (0.68) ATP4AATP4B
SCHEMBL8177593 0.86 ATP4A (0.60) ATP4AATP4B
SCHEMBL8190470 0.85 — —

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-1994029274-A1 NEW ACTIVE COMPOUNDS ASTRA AKTIEBOLAG (SE) 1994-12-22 — — WO disclosed
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