SCHEMBL3963697

SCHEMBL3963697

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)nc2)no1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cn1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)cn1.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.54
CNR1 P21554 3/20 0.54
GAA P10253 1/20 0.39
MAPT P10636 5/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
HTT P42858 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.35
PTK2B Q14289 1/20 0.35
FLT3 P36888 2/20 0.35
CSF1R P07333 1/20 0.35
RAF1 P04049 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3963607 0.95 CNR2 (0.55) CNR2CNR1GAAMAPTMAPK14
SCHEMBL3962815 0.89 CNR2 (0.45) CNR2CNR1GAAMAPTMAPK14
SCHEMBL1464294 0.86 CNR2 (0.66) CNR2CNR1GAAMAPTMAPK14
SCHEMBL1465096 0.86 CNR2 (0.66) CNR2MAPTMAPK14MAPK13MAPK12
SCHEMBL1464646 0.84 CNR2 (0.76) CNR2CNR1GAAMAPTMAPK14
SCHEMBL1465890 0.84 CNR2 (0.76) CNR2CNR1MAPTMAPK14MAPK13
SCHEMBL3967896 0.74 CNR2 (0.53) CNR2CNR1GAAMAPTMAPK14
SCHEMBL1464890 0.73 CNR2 (0.70) CNR2CNR1GAAMAPTMAPK14
SCHEMBL1463758 0.73 CNR2 (0.69) CNR2CNR1MAPTMAPK14MAPK13
SCHEMBL1463633 0.73 CNR2 (0.76) CNR2CNR1GAAMAPTMAPK14

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 claimed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO claimed