SCHEMBL3963913

SCHEMBL3963913

Cn1nc(C(C)(C)C)cc1C(N)=O.O=C(O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GRN P28799 1/20 0.45
SORT1 Q99523 1/20 0.45
MAPT P10636 3/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
ATM Q13315 1/20 0.41
PHGDH O43175 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3964900 0.88 KDM4E (0.43) KDM4EGRNSORT1MAPTPHGDH
SCHEMBL3963914 0.87 CNR2 (0.47) CNR2KDM4EGRNSORT1MAPT
SCHEMBL1465025 0.78 CNR2 (0.64) CNR2MAPTMAPK13MAPK12MAPK11
SCHEMBL3968969 0.78 ATM (0.41) MAPTATMALDH1A1LMNAGAA
SCHEMBL3963604 0.77 MAPT (0.43) KDM4EMAPTATMALDH1A1LMNA
SCHEMBL3959595 0.76 CNR1 (0.47) CNR2MAPTATMALDH1A1LMNA
SCHEMBL351726 0.75 EEF2K (0.58) KDM4EMAPTATMALDH1A1LMNA
SCHEMBL352072 0.75 GRN (0.71) CNR2KDM4EGRNSORT1MAPT
SCHEMBL7744788 0.74 GRN (0.67) CNR2KDM4EGRNSORT1MAPT
SCHEMBL3965097 0.72 CNR2 (0.45) CNR2MAPTATMALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081905-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-29 EP disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO disclosed