SCHEMBL3963607

SCHEMBL3963607

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.55
CNR1 P21554 3/20 0.55
GAA P10253 1/20 0.42
PTK2B Q14289 1/20 0.38
RAF1 P04049 1/20 0.38
FLT3 P36888 3/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CSF1R P07333 1/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK13 O15264 1/20 0.36
MAPT P10636 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL3963697 0.95 CNR2 (0.54) CNR2CNR1GAAPTK2BRAF1
SCHEMBL1464294 0.90 CNR2 (0.66) CNR2CNR1GAARAF1FLT3
SCHEMBL1465096 0.90 CNR2 (0.66) CNR2PTK2BRAF1LMNAMAPK14
SCHEMBL3962815 0.85 CNR2 (0.45) CNR2CNR1GAAFLT3ALDH1A1
SCHEMBL3967896 0.78 CNR2 (0.53) CNR2CNR1GAAFLT3ALDH1A1
SCHEMBL1464890 0.77 CNR2 (0.70) CNR2CNR1GAAFLT3ALDH1A1
SCHEMBL1463633 0.76 CNR2 (0.76) CNR2CNR1GAASMN1; SMN2MAPK14
SCHEMBL1464646 0.76 CNR2 (0.76) CNR2CNR1GAAFLT3ALDH1A1
SCHEMBL1465890 0.76 CNR2 (0.76) CNR2CNR1LMNAMAPK14MAPK13
SCHEMBL1463758 0.76 CNR2 (0.69) CNR2CNR1ALDH1A1LMNAMAPK14

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