SCHEMBL28802471

SCHEMBL28802471

C=C(C)S(=O)(=O)N(C)C1CCc2ccc(C(=O)N(C)C3CCN(c4cc(C)nc(C)c4)CC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.41
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
CNR2 P34972 1/20 0.36
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
F2 P00734 1/20 0.34
PLAT P00750 1/20 0.34
KLKB1 P03952 1/20 0.34
POLB P06746 1/20 0.34
DRD2 P14416 1/20 0.33
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
NPY5R Q15761 1/20 0.33
SPR P35270 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL784895 0.90 F10 (0.43) F10TLR9TLR8TLR7CNR2
SCHEMBL784539 0.87 TLR9 (0.43) F10TLR9TLR8TLR7CNR2
SCHEMBL784885 0.83 TLR9 (0.42) F10TLR9TLR8TLR7CNR2
SCHEMBL785591 0.83 F10 (0.44) F10TLR9TLR8TLR7CNR2
SCHEMBL785813 0.82 TLR9 (0.41) F10TLR9TLR8TLR7CNR2
SCHEMBL785172 0.82 F10 (0.41) F10TLR9TLR8TLR7CNR2
SCHEMBL784991 0.81 F10 (0.46) F10TLR9TLR8TLR7F2
SCHEMBL785281 0.81 POLB (0.41) F10TLR9TLR8TLR7CNR2
SCHEMBL784416 0.81 TLR9 (0.40) F10TLR9TLR8TLR7CNR2
SCHEMBL785542 0.81 HPGD (0.44) F10TLR9TLR8TLR7ADORA2A

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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN disclosed