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Sugi Predict / Compounds / SCHEMBL3968558

SCHEMBL3968558

SCHEMBL3968558

Cc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)no2)cc1.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(C#N)cc1F

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.51
▸ CNR1 P21554 7/20 0.37
▸ MAPK14 Q16539 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL1464659 0.87 CNR2 (0.58) CNR2MAPK14LMNA
SCHEMBL3960809 0.81 CNR2 (0.61) CNR2CNR1MAPK14LMNA
SCHEMBL1463681 0.80 CNR2 (0.73) CNR2CNR1MAPK14LMNA
SCHEMBL3963538 0.79 CNR2 (0.39) CNR2CNR1
SCHEMBL1464022 0.79 CNR2 (0.64) CNR2MAPK14LMNA
SCHEMBL1464857 0.78 CNR2 (0.82) CNR2CNR1MAPK14LMNA
SCHEMBL1464930 0.78 CNR2 (0.60) CNR2CNR1MAPK14ALDH1A1
SCHEMBL3967896 0.75 CNR2 (0.53) CNR2CNR1MAPK14ALDH1A1LMNA
SCHEMBL1465446 0.75 CNR2 (0.64) CNR2MAPK14LMNA
SCHEMBL1463736 0.75 CNR2 (0.55) CNR2CNR1MAPK14ALDH1A1

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