SCHEMBL3960809

SCHEMBL3960809

Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cc1F.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.61
LMNA P02545 2/20 0.39
NTRK1 P04629 1/20 0.39
NTRK2 Q16620 1/20 0.39
MAPK14 Q16539 11/20 0.38
MAPT P10636 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
CNR1 P21554 3/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL1464688 0.91 CNR2 (0.69) CNR2LMNAMAPK14MAPTMAPK13
SCHEMBL1463681 0.90 CNR2 (0.73) CNR2LMNANTRK1NTRK2MAPK14
SCHEMBL1464659 0.84 CNR2 (0.58) CNR2LMNANTRK1NTRK2MAPK14
SCHEMBL3968558 0.81 CNR2 (0.51) CNR2LMNAMAPK14CNR1
SCHEMBL1465546 0.81 CNR2 (0.78) CNR2LMNAMAPK14MAPTMAPK13
SCHEMBL1464857 0.81 CNR2 (0.82) CNR2LMNAMAPK14MAPTMAPK13
SCHEMBL12095624 0.80 CNR2 (0.70) CNR2LMNAMAPK14MAPTMAPK13
SCHEMBL3959830 0.79 CNR2 (0.47) CNR2CNR1
SCHEMBL1464371 0.79 CNR2 (0.65) CNR2LMNAMAPK14MAPTMAPK13
SCHEMBL3964403 0.78 CNR2 (0.51) CNR2MAPK14CNR1

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