SCHEMBL13618547

SCHEMBL13618547

Cn1nc(C(C)(C)C)cc1-c1nnc(C(C)(I)I)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
MAPK14 Q16539 2/20 0.32
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 0.32
P2RY1 P47900 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL10146124 0.89 KDM4E (0.44) KDM4EGRNSORT1MAPK14RAB9A
SCHEMBL352561 0.73 KDM4E (0.37) KDM4EGRNSORT1RAB9ANPC1
SCHEMBL10147474 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13618716 0.69 KDM4E (0.40) KDM4EGRNSORT1MAPK14LMNA
SCHEMBL13618724 0.69 GRN (0.40) KDM4EGRNSORT1HDAC6
SCHEMBL21719732 0.67 KDM4E (0.50) KDM4EGRNSORT1MAPK14LMNA
SCHEMBL13618719 0.66 KDM4E (0.36) KDM4EGRNSORT1
SCHEMBL13618555 0.65 KDM4E (0.36) KDM4EGRNSORT1
SCHEMBL13618717 0.65 KDM4E (0.36) KDM4EGRNSORT1
SCHEMBL13618548 0.65 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