SCHEMBL13618548

SCHEMBL13618548

Cn1nc(C(C)(C)C)cc1-c1coc(C(C)(I)I)n1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36

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
SCHEMBL10146115 0.90 KDM4E (0.38) KDM4EGRNSORT1
SCHEMBL10177336 0.77 KDM4E (0.36) KDM4EGRNSORT1
SCHEMBL351489 0.76 CNR2 (0.37) KDM4EGRNSORT1
SCHEMBL10147503 0.76 MAPT (0.37)
SCHEMBL350334 0.75 CNR2 (0.36) KDM4EGRNSORT1
SCHEMBL351891 0.75 CNR2 (0.47) KDM4EGRNSORT1
SCHEMBL351482 0.74 CNR2 (0.32) KDM4EGRNSORT1
SCHEMBL13618724 0.72 GRN (0.40) KDM4EGRNSORT1
SCHEMBL10147904 0.72 CNR2 (0.31)
SCHEMBL13618555 0.71 KDM4E (0.36) KDM4EGRNSORT1

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-2009140089-A2 SULFONE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-19 WO disclosed