SCHEMBL4057985

SCHEMBL4057985

CC(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccc(C(F)(F)F)nc2)n(C)n1.Cc1c(-c2ccccc2)nn(C)c1NC(=O)C(C)(C)S(=O)(=O)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.41
CNR1 P21554 4/20 0.38
SLC34A1 Q06495 4/20 0.38
NTRK1 P04629 3/20 0.34
IDH2 P48735 1/20 0.34
DHODH Q02127 1/20 0.34
PHGDH O43175 1/20 0.34
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL1464803 0.91 CNR2 (0.42) CNR2CNR1SLC34A1NTRK1DHODH
SCHEMBL1464800 0.87 CNR2 (0.52) CNR2CNR1PHGDHKCNJ6KCNJ5
SCHEMBL1465718 0.81 CNR2 (0.49) CNR2CNR1NTRK1PHGDH
SCHEMBL1464703 0.76 CNR2 (0.57) CNR2CNR1NTRK1
SCHEMBL1463758 0.76 CNR2 (0.69) CNR2CNR1
SCHEMBL1464781 0.74 MMP1 (0.45) CNR2NTRK1
SCHEMBL14319137 0.73 SLC34A1 (0.40) SLC34A1NTRK1DHODH
SCHEMBL3964766 0.73 CNR2 (0.47) CNR2CNR1NTRK1PHGDH
SCHEMBL1465811 0.72 CNR2 (0.75) CNR2CNR1PHGDH
SCHEMBL1464950 0.71 RORC (0.49) CNR2CNR1DHODHXIAP

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