SCHEMBL27339268

SCHEMBL27339268

CCCC(=O)c1cnc2c(OCCC[S+](C)[O-])cccc2c1Nc1ccccc1CN

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 1/20 0.56
▸ ATP4B P51164 1/20 0.56

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
SCHEMBL27332132 0.94 — —
SCHEMBL8177593 0.90 ATP4A (0.60) ATP4AATP4B
SCHEMBL8190007 0.89 ATP4A (0.67) ATP4AATP4B
SCHEMBL8193199 0.89 ATP4A (0.72) ATP4AATP4B
SCHEMBL8192844 0.88 ATP4A (0.58) ATP4AATP4B
SCHEMBL27335920 0.86 ATP4A (0.57) ATP4AATP4B
SCHEMBL8187635 0.84 ATP4A (0.73) ATP4AATP4B
SCHEMBL8190801 0.84 ATP4A (0.68) ATP4AATP4B
SCHEMBL8189000 0.84 ATP4A (0.59) ATP4AATP4B
SCHEMBL8179558 0.84 — —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1045955-C New active compounds ASTRA AB (SE) 1999-10-27 — — CN disclosed
CN-1125438-A Novel active compounds ASTRA AB (SE) 1996-06-26 — — CN disclosed
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