SCHEMBL3963574

SCHEMBL3963574

CC(C)(C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1)S(=O)(=O)c1ccc(F)cc1F.Cn1nc(C(C)(C)C)cc1NC(=O)C(C)(C)S(=O)(=O)c1ccc(F)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.57
ABL1 P00519 3/20 0.43
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
MAPT P10636 7/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MITF O75030 1/20 0.42
NTSR1 P30989 1/20 0.42

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
SCHEMBL1463644 0.89 ABL1 (0.53) CNR2ABL1MAPTKMT2AMEN1
SCHEMBL1465790 0.84 ABL1 (0.55) ABL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL1465446 0.83 CNR2 (0.64) CNR2MAPTMAPK13MAPK12MAPK11
SCHEMBL3961290 0.83 CNR2 (0.55) CNR2ABL1MAPTKMT2AMEN1
SCHEMBL3967832 0.83 CNR2 (0.55) CNR2MAPTMAPK13MAPK12MAPK11
SCHEMBL1463606 0.81 CNR2 (0.74) CNR2MAPTMAPK13MAPK12MAPK11
SCHEMBL1464619 0.79 ABL1 (0.56) CNR2ABL1MAPTKMT2AMEN1
SCHEMBL12635885 0.79 KDM1A (0.52) ABL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL1466154 0.79 MEN1 (0.53) ABL1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3959750 0.78 MEN1 (0.48) CNR2ABL1KMT2AMEN1ALDH1A1

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