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SCHEMBL3962989

SCHEMBL3962989

CC(C)(C(=O)Nc1cc2ccccc2cn1)S(=O)(=O)c1ccc(Cl)cc1.Cn1nc(-c2cccs2)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 14/20 0.53
▸ CNR1 P21554 7/20 0.48
▸ CFTR P13569 3/20 0.42
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL1464509 0.89 CNR2 (0.66) CNR2CNR1CFTRMAPT
SCHEMBL3964897 0.86 CNR2 (0.59) CNR2CNR1MAPT
SCHEMBL3961157 0.85 CNR2 (0.40) CNR2CNR1CFTRMAPT
SCHEMBL1463634 0.83 CNR2 (0.66) CNR2CNR1
SCHEMBL1464511 0.80 CNR2 (0.50) CNR2CFTRMAPTKDM4EALDH1A1
SCHEMBL3968656 0.77 CNR2 (0.58) CNR2MAPTKDM4EALDH1A1LMNA
SCHEMBL1464658 0.76 CNR2 (0.71) CNR2CNR1MAPT
SCHEMBL4071291 0.76 CNR2 (0.46) CNR2CNR1LMNA
SCHEMBL1620976 0.74 CNR2 (0.43) CNR2CFTRMAPTKDM4EALDH1A1
SCHEMBL4069777 0.73 CNR2 (0.42) CNR2CNR1MAPTKDM4EALDH1A1

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