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SCHEMBL4081933

SCHEMBL4081933

CC(C)(C(=O)Nc1ccc2ccccc2n1)S(=O)(=O)c1ccc(Cl)cc1F.CC(C)(C(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(Cl)cc1F.CC(C)(C(=O)Nc1cccc2ccccc12)S(=O)(=O)c1ccc(Cl)cc1F.CC(C)(C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)S(=O)(=O)c1ccc(Cl)cc1F.CC(C)(C)Cc1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)on1.CCCc1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)on1.Cc1ccc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(Cl)cc2F)nc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ VCP P55072 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ USP8 P40818 1/20 0.32
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ KDM1A O60341 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ NFKB2 Q00653 1/20 0.30
▸ RELA Q04206 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ SENP8 Q96LD8 1/20 0.30

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
SCHEMBL4081939 0.91 CNR2 (0.31) CNR2CNR1
SCHEMBL1465189 0.70 MAPK14 (0.46) CNR2CNR1MEN1KMT2ANPC1
SCHEMBL3963561 0.70 MAPK14 (0.34) —
SCHEMBL3963567 0.69 CNR2 (0.50) CNR2CNR1VCPUSP2USP8
SCHEMBL3962868 0.69 CNR2 (0.43) CNR2CNR1VCPUSP2USP8
SCHEMBL1464666 0.67 CNR2 (0.43) CNR2CNR1MEN1KMT2ANPC1
SCHEMBL1465790 0.66 ABL1 (0.55) MEN1KMT2AMAPTKDM1ANPC1
SCHEMBL1463942 0.66 MAPK14 (0.50) CNR2CNR1SMN1; SMN2
SCHEMBL1466154 0.65 MEN1 (0.53) MEN1KMT2AMAPTKDM1ANPC1
SCHEMBL3968648 0.64 CNR2 (0.48) CNR2CNR1MAPTKDM4ENPC1

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
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