SCHEMBL13618555

SCHEMBL13618555

Cn1nc(C(C)(C)C)cc1-c1cnc(C(C)(I)I)o1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
PIK3CG P48736 1/20 0.31

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
SCHEMBL10146112 0.90 PIK3CG (0.38) KDM4EGRNSORT1PIK3CG
SCHEMBL10177247 0.77 KDM4E (0.36) KDM4EGRNSORT1
SCHEMBL10147508 0.76 MAPT (0.37)
SCHEMBL13618724 0.75 GRN (0.40) KDM4EGRNSORT1
SCHEMBL351826 0.75 CNR2 (0.36) KDM4EGRNSORT1
SCHEMBL353351 0.74 CNR2 (0.32) KDM4EGRNSORT1
SCHEMBL10147486 0.73 PTGS2 (0.32) KDM4E
SCHEMBL10147493 0.72 MAPK14 (0.33)
SCHEMBL10147586 0.72 CNR2 (0.35)
SCHEMBL13618548 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