SCHEMBL3965017

SCHEMBL3965017

CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)c2ccccc2)no1.CC(C)(C)c1csc(NC(=O)C(C)(C)S(=O)(=O)c2ccccc2)n1.Cc1nc(C(N)=O)sc1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.49
CNR1 P21554 4/20 0.49
RAB9A P51151 7/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
NPC1 O15118 6/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
MAPK1 P28482 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 4/20 0.37
NPSR1 Q6W5P4 4/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 5/20 0.36
HTT P42858 2/20 0.35
RECQL P46063 1/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL3965021 0.91 CNR2 (0.50) CNR2CNR1RAB9AMEN1KMT2A
SCHEMBL3963555 0.87 CNR2 (0.55) CNR2CNR1RAB9AMEN1KMT2A
SCHEMBL3963557 0.85 CNR2 (0.56) CNR2CNR1RAB9AMEN1KMT2A
SCHEMBL3963536 0.84 CNR2 (0.44) CNR2CNR1MEN1KMT2AMAPK1
SCHEMBL3959609 0.80 CNR2 (0.40) CNR2CNR1
SCHEMBL1465761 0.77 CNR2 (0.78) CNR2CNR1RAB9AMEN1KMT2A
SCHEMBL1464539 0.77 NPC1 (0.61) CNR2CNR1RAB9AMEN1KMT2A
SCHEMBL1464232 0.73 GAA (0.62) CNR2CNR1RAB9AMEN1KMT2A
SCHEMBL4017166 0.72 CNR2 (0.46) CNR2CNR1RAB9AMEN1KMT2A
SCHEMBL1465703 0.72 CNR2 (0.80) CNR2CNR1RAB9AMEN1KMT2A

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