SCHEMBL8607018

SCHEMBL8607018

O=C(O)c1cnc2c(CCc3nnn[nH]3)cccn12

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.30
ATP4B P51164 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
SCHEMBL8606402 0.83
SCHEMBL8609525 0.80 HDAC8 (0.32)
SCHEMBL8607371 0.79 KDM4E (0.35)
SCHEMBL15670600 0.77 MAPT (0.36) ATP4AATP4B
SCHEMBL8609450 0.76 HDAC8 (0.32)
SCHEMBL1290914 0.76 BAZ2B (0.38)
SCHEMBL15869590 0.76 CLCN2 (0.38)
SCHEMBL8606176 0.74 PTGS1 (0.40)
SCHEMBL8607403 0.72 ACP3 (0.36)
SCHEMBL9753983 0.71 TBXAS1 (0.32)

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-5716964-A BRAIN DISORDERS; ANTIISCHEMIC AGENTS G.D. SEARLE & CO. (US) 1998-02-10 US disclosed