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SCHEMBL3962771

SCHEMBL3962771

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C#N)cc2)no1.CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccsc2)no1.COc1ccc(S(=O)(=O)C(C)(C)C(=O)Nc2cc(C(C)(C)C)on2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.51
▸ CNR1 P21554 3/20 0.51
▸ FLT3 P36888 9/20 0.39
▸ BRAF P15056 3/20 0.37
▸ RAF1 P04049 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK3 P27361 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
SCHEMBL3967536 0.88 CNR2 (0.40) CNR2CNR1FLT3BRAFRAF1
SCHEMBL1465008 0.85 CNR2 (0.66) CNR2CNR1FLT3BRAFRAF1
SCHEMBL1464614 0.82 CNR2 (0.73) CNR2CNR1GAAMEN1KMT2A
SCHEMBL1464387 0.81 CNR2 (0.68) CNR2CNR1GAAMEN1KMT2A
SCHEMBL1463816 0.75 CNR2 (0.57) CNR2CNR1GAAMEN1KMT2A
SCHEMBL1463938 0.74 CNR2 (0.63) CNR2CNR1RAF1GAAMEN1
SCHEMBL1464517 0.73 CNR2 (0.69) CNR2CNR1GAAMEN1KMT2A
SCHEMBL1464944 0.73 CNR2 (0.75) CNR2CNR1RAF1GAAMEN1
SCHEMBL766938 0.73 CNR2 (0.79) CNR2CNR1GAAMEN1KMT2A
SCHEMBL1464681 0.72 CNR2 (0.79) CNR2CNR1GAAMEN1KMT2A

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 4 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
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