SCHEMBL3962960

SCHEMBL3962960

Cc1nc(NC(=O)C(C)(C)S(=O)(=O)c2ccccc2F)sc1C(C)(C)C.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.51
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPK14 Q16539 12/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 1/20 0.36
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL1464832 0.88 GAA (0.49) CNR2LMNAALDH1A1GAARXFP1
SCHEMBL1464468 0.87 CNR2 (0.65) CNR2LMNAMAPK14MAPK13MAPK12
SCHEMBL1464022 0.78 CNR2 (0.64) CNR2LMNAMAPK14MAPK13MAPK12
SCHEMBL1463609 0.78 ALDH1A1 (0.51) CNR2LMNAALDH1A1GAACNR1
SCHEMBL3968236 0.77 ALDH1A1 (0.39) CNR2LMNAALDH1A1GAARXFP1
SCHEMBL1464232 0.77 GAA (0.62) CNR2LMNAALDH1A1GAACNR1
SCHEMBL4015146 0.77 CNR2 (0.46) CNR2LMNAALDH1A1GAAMAPK14
SCHEMBL3963962 0.77 CNR1 (0.44) CNR2LMNAALDH1A1GAARXFP1
SCHEMBL1464065 0.76 CNR2 (0.67) CNR2LMNAMAPK14MAPK13MAPK12
SCHEMBL1465446 0.76 CNR2 (0.64) CNR2LMNAMAPK14MAPK13MAPK12

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 4 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
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