SCHEMBL3968656

SCHEMBL3968656

COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(-c3cccs3)nn2C)cc1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)nn2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.58
MAPK14 Q16539 10/20 0.41
MAPK13 O15264 2/20 0.41
RAF1 P04049 1/20 0.41
TP53 P04637 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 2/20 0.39
F2 P00734 1/20 0.39
TSHR P16473 1/20 0.39
ADCY1 Q08828 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL1464511 0.95 CNR2 (0.50) CNR2TP53MAPTSMN1; SMN2LMNA
SCHEMBL1464409 0.87 CNR2 (0.75) CNR2MAPK14MAPK13RAF1MAPK12
SCHEMBL3968208 0.85 CNR2 (0.62) CNR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL1464509 0.84 CNR2 (0.66) CNR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL1464386 0.80 CNR2 (0.53) CNR2MAPTRAB9A
SCHEMBL3964897 0.80 CNR2 (0.59) CNR2MAPT
SCHEMBL1620976 0.78 CNR2 (0.43) CNR2MAPTSMN1; SMN2KMT2AKDM4E
SCHEMBL3962989 0.77 CNR2 (0.53) CNR2MAPTLMNAKDM4EALDH1A1
SCHEMBL1464598 0.76 CNR2 (0.78) CNR2MAPK14MAPK13MAPK12MAPK11
SCHEMBL1464857 0.76 CNR2 (0.82) CNR2MAPK14MAPK13MAPK12MAPK11

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