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SCHEMBL3962718

SCHEMBL3962718

CC(C)(C(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(Cl)cc1F.CCC(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2)on1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 15/20 0.63
▸ CNR1 P21554 7/20 0.63
▸ ALPL P05186 2/20 0.42
▸ BRAF P15056 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TMPRSS4 Q9NRS4 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
SCHEMBL1464633 0.82 CNR2 (0.79) CNR2CNR1ALPLBRAFMEN1
SCHEMBL1464457 0.81 CNR2 (0.58) CNR2CNR1
SCHEMBL3962840 0.81 CNR2 (0.42) CNR2CNR1
SCHEMBL1464474 0.80 CNR2 (1.00) CNR2CNR1ALPLMEN1POLB
SCHEMBL3963534 0.79 CNR2 (0.55) CNR2CNR1
SCHEMBL3963539 0.79 CNR2 (0.65) CNR2CNR1ALPLMEN1POLB
SCHEMBL3964431 0.77 CNR2 (0.61) CNR2CNR1ALPLBRAFKMT2A
SCHEMBL1465784 0.75 CNR2 (0.82) CNR2CNR1ALPLBRAFPOLB
SCHEMBL1464908 0.72 CNR2 (0.63) CNR2CNR1
SCHEMBL1464239 0.72 MAPK14 (0.54) CNR2CNR1

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