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SCHEMBL3962941

SCHEMBL3962941

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)on1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)cc1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2nc(C)c(C(C)(C)C)s2)cc1.Cc1nc(NC(=O)C(C)(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)sc1C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.51
▸ CNR1 P21554 4/20 0.51
▸ SLC20A2 Q08357 1/20 0.36
▸ SLC20A1 Q8WUM9 1/20 0.36
▸ RAF1 P04049 3/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ GAA P10253 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL3959810 0.92 CNR2 (0.58) CNR2CNR1RAF1GAAMAPT
SCHEMBL3959616 0.90 CNR2 (0.41) CNR2CNR1SLC20A2SLC20A1
SCHEMBL3959609 0.89 CNR2 (0.40) CNR2CNR1SLC20A2SLC20A1
SCHEMBL1465580 0.78 CNR2 (0.49) CNR2CNR1GAAKMT2ASMN1; SMN2
SCHEMBL1463528 0.75 CNR2 (0.78) CNR2CNR1RAF1MAPK14GAA
SCHEMBL1463890 0.74 ALDH1A1 (0.46) CNR2CNR1GAAMAPTKMT2A
SCHEMBL3963536 0.74 CNR2 (0.44) CNR2CNR1GAAMAPTKMT2A
SCHEMBL1465888 0.73 CNR2 (0.56) CNR2CNR1RAF1MAPK14
SCHEMBL1464868 0.73 CNR2 (0.58) CNR2CNR1GAAMAPTSMN1; SMN2
SCHEMBL1464944 0.73 CNR2 (0.75) CNR2CNR1RAF1MAPK14GAA

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