SCHEMBL9103338

SCHEMBL9103338

[2H]C([2H])([2H])C1CCc2nc(N)nc(N)c21

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1225635 0.89 HRH2 (0.34) KDM4E
SCHEMBL512167 0.74 HRH2 (0.32) KDM4E
SCHEMBL6472094 0.68 HRH2 (0.35) KDM4E
SCHEMBL4421661 0.68 KDM4E (0.36) KDM4E
SCHEMBL8634429 0.65 NOS1 (0.38)
SCHEMBL8634425 0.65 NOS1 (0.38)
SCHEMBL8636197 0.65 NOS1 (0.38)
SCHEMBL512091 0.65
SCHEMBL6964724 0.64 KDM4E (0.33) KDM4E
SCHEMBL513212 0.62 KDM4E (0.34) KDM4E

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
EP-2459197-A1 COMPOUNDS FOR THE REDUCTION OF -AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2012-06-06 EP claimed