SCHEMBL4072111

SCHEMBL4072111

CC(C)(C(=O)Nc1cccc2ccccc12)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1.Cc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CNR2 P34972 4/20 0.43
CNR1 P21554 3/20 0.43
LMNA P02545 2/20 0.41
NLRP3 Q96P20 1/20 0.41
LTC4S Q16873 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 2/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
DDR2 Q16832 1/20 0.39
GCK P35557 1/20 0.39
HCRTR1 O43613 1/20 0.39
TP53 P04637 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
SCHEMBL4070335 0.88 CNR1 (0.44) ALDH1A1CNR2CNR1LMNANLRP3
SCHEMBL1464665 0.87 RAB9A (0.50) ALDH1A1CNR2CNR1RAB9ANPC1
SCHEMBL1465162 0.87 NLRP3 (0.52) ALDH1A1CNR2CNR1LMNANLRP3
SCHEMBL1464909 0.77 CNR2 (0.57) ALDH1A1CNR2CNR1NLRP3KMT2A
SCHEMBL1464396 0.77 CNR2 (0.63) ALDH1A1CNR2CNR1LMNARAB9A
SCHEMBL1464267 0.77 CNR2 (0.51) ALDH1A1CNR2CNR1LMNANLRP3
SCHEMBL4164059 0.76 CNR2 (0.44) ALDH1A1CNR2CNR1LMNALTC4S
SCHEMBL12635879 0.75 KMT2A (0.58) ALDH1A1LMNANLRP3RAB9ANPC1
SCHEMBL3967415 0.73 RAF1 (0.42) ALDH1A1CNR2CNR1LMNANLRP3
SCHEMBL1464362 0.73 CNR2 (0.57) CNR2CNR1RAB9ANPC1ABCC9

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