SCHEMBL13618724

SCHEMBL13618724

Cn1nc(C(C)(C)C)cc1-c1nnc(C(C)(I)I)o1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRN P28799 2/20 0.40
SORT1 Q99523 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL10146105 0.89 CYP1A2 (0.44) GRNSORT1KDM4ECYP1A2HDAC6
SCHEMBL13618555 0.75 KDM4E (0.36) GRNSORT1KDM4E
SCHEMBL10147588 0.75 CYP1A2 (0.33) GRNSORT1KDM4ECYP1A2
SCHEMBL10147542 0.75 MAPK13 (0.37)
SCHEMBL350907 0.74 CNR2 (0.51) GRNSORT1KDM4E
SCHEMBL13618717 0.72 KDM4E (0.36) GRNSORT1KDM4E
SCHEMBL13618548 0.72 KDM4E (0.36) GRNSORT1KDM4E
SCHEMBL10147580 0.71 ALDH1A1 (0.33) CYP1A2
SCHEMBL352485 0.71 ALDH1A1 (0.35) GRNSORT1KDM4ECYP1A2
SCHEMBL13618545 0.70 ALDH1A1 (0.32) CYP1A2

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