SCHEMBL13618732

SCHEMBL13618732

Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)C(C)(C)[SH](C)(=O)C1CCOCC1

nearest known ligand 0.47

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
CNR2 P34972 1/20 0.41
GALR3 O60755 3/20 0.40
RAB9A P51151 1/20 0.40
CACNA1H O95180 1/20 0.39
NR2F2 P24468 1/20 0.38
AAK1 Q2M2I8 1/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
CTSL P07711 4/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MAPK14 Q16539 1/20 0.35
BRAF P15056 2/20 0.34
GABRA5 P31644 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL351307 0.81 CNR2 (0.49) KDM4EGRNSORT1CNR2GALR3
SCHEMBL10147509 0.79 GALR3 (0.43) KDM4EGRNSORT1CNR2GALR3
SCHEMBL7985728 0.66 KDM4E (0.67) KDM4EGRNSORT1CNR2GALR3
SCHEMBL350954 0.65 KDM4E (0.65) KDM4EGRNSORT1CNR2GALR3
SCHEMBL1869664 0.65 LMNA (0.49) KDM4EGRNSORT1GALR3RAB9A
SCHEMBL766896 0.65 CNR2 (0.57) CNR2LMNAMAPK14
SCHEMBL19710054 0.64 SMYD3 (0.66) KDM4EGRNSORT1GALR3RAB9A
SCHEMBL21490047 0.64 SMYD3 (0.66) KDM4EGRNSORT1GALR3RAB9A
SCHEMBL14647253 0.64 CNR2 (0.68) CNR2
SCHEMBL16358419 0.64 CNR2 (0.61) CNR2LMNAMAPK14

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