SCHEMBL3963555

SCHEMBL3963555

CC(C)(C)c1cc(C(N)=O)no1.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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.55
CNR1 P21554 3/20 0.55
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 3/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 3/20 0.39
RECQL P46063 1/20 0.39
FLT3 P36888 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL3963557 0.90 CNR2 (0.56) CNR2CNR1MEN1KMT2ARAB9A
SCHEMBL3965017 0.87 CNR2 (0.49) CNR2CNR1MEN1KMT2ARAB9A
SCHEMBL3965021 0.85 CNR2 (0.50) CNR2CNR1MEN1KMT2ARAB9A
SCHEMBL1464539 0.82 NPC1 (0.61) CNR2CNR1MEN1KMT2ARAB9A
SCHEMBL1465761 0.82 CNR2 (0.78) CNR2CNR1MEN1KMT2ARAB9A
SCHEMBL1463670 0.76 NPC1 (0.56) CNR2CNR1MEN1KMT2ARAB9A
SCHEMBL1463526 0.76 CNR2 (0.75) CNR2CNR1MEN1KMT2ARAB9A
SCHEMBL3966620 0.75 CNR2 (0.52) CNR2CNR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1465703 0.75 CNR2 (0.80) CNR2CNR1MEN1KMT2ARAB9A
SCHEMBL4011827 0.74 CNR2 (0.52) CNR2CNR1NPC1SMN1; SMN2

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 disclosed
WO-2008014199-A2 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-01-31 WO disclosed