SCHEMBL13618543

SCHEMBL13618543

CC(I)(I)c1nc(C2CCCCC2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PLAT P00750 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HCRTR1 O43613 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
SCHEMBL10146061 0.86 POLB (0.46) POLBCASP3SENP7SENP6NPC1
SCHEMBL21397907 0.84 POLB (0.44) POLBCASP3SENP7SENP6NPC1
SCHEMBL24752179 0.83 POLB (0.44) POLBCASP3SENP7SENP6NPC1
SCHEMBL24753886 0.83 POLB (0.44) POLBCASP3SENP7SENP6NPC1
SCHEMBL21397910 0.80 POLB (0.40) POLBCASP3SENP7SENP6NPC1
SCHEMBL17115059 0.79 NPC1 (0.47) POLBCASP3SENP7SENP6NPC1
SCHEMBL8252792 0.79 POLB (0.46) POLBCASP3SENP7SENP6NPC1
SCHEMBL23866629 0.78 POLB (0.40) POLBCASP3SENP7SENP6NPC1
SCHEMBL10147515 0.76 POLB (0.39) POLBCASP3SENP7SENP6NPC1
SCHEMBL10105655 0.76 HCRTR1 (0.43) CNR1CNR2HCRTR1HCRTR2

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