SCHEMBL8896158

SCHEMBL8896158

COc1ccccc1Nc1ncnc2c1c(-c1ccncc1)nn2[C@@H]1O[C@H](C)[C@@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 19/20 0.53

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
SCHEMBL8896308 0.91 ADK (0.54) ADK
SCHEMBL8324600 0.81 ADK (0.65) ADK
SCHEMBL8975287 0.81 ADK (0.70) ADK
SCHEMBL6679016 0.81 ADK (0.70) ADK
SCHEMBL8328170 0.81 ADK (0.54) ADK
SCHEMBL8975449 0.81 ADK (0.75) ADK
SCHEMBL8975769 0.79 ADK (0.66) ADK
SCHEMBL8975871 0.79 ADK (0.69) ADK
SCHEMBL8327586 0.78 ADK (0.51) ADK
SCHEMBL8333662 0.77 ADK (0.67) ADK

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-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 — — US disclosed
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