SCHEMBL9393983

SCHEMBL9393983

CCCC(=O)c1cnc2c(OCCCSC)cccc2c1Nc1ccccc1S(C)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.57
▸ ATP4B P51164 1/20 0.57

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
SCHEMBL8189693 0.88 ATP4A (0.75) ATP4AATP4B
SCHEMBL8178504 0.88 ATP4A (0.69) ATP4AATP4B
SCHEMBL9226969 0.87 ATP4A (0.50) ATP4AATP4B
SCHEMBL8186530 0.87 ATP4A (0.60) ATP4AATP4B
SCHEMBL8192263 0.83 ATP4A (0.70) ATP4AATP4B
SCHEMBL8188046 0.83 ATP4A (0.76) ATP4AATP4B
SCHEMBL8178058 0.83 ATP4A (0.62) ATP4AATP4B
SCHEMBL8193238 0.82 ATP4A (0.61) ATP4AATP4B
SCHEMBL8190069 0.81 ATP4A (0.65) ATP4AATP4B
SCHEMBL8177682 0.81 ATP4A (0.59) ATP4AATP4B

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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