SCHEMBL21098295

SCHEMBL21098295

CC(C)(C)OC(=O)NC1=Nc2cc(I)ccc2C=C(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 3/20 0.48
BRD9 Q9H8M2 1/20 0.32
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
CYP17A1 P05093 2/20 0.31
CNR2 P34972 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
AKT1 P31749 1/20 0.30

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
SCHEMBL1235939 0.87 TLR8 (0.48) TLR8BRD9NPC1RAB9A
SCHEMBL30006352 0.87 TLR8 (0.48) TLR8BRD9NPC1RAB9A
SCHEMBL1238110 0.79 TLR8 (0.55) TLR8CYP17A1TLR7
SCHEMBL27175795 0.77 TLR8 (0.39) TLR8TOP2ATOP2BMEN1NPC1
SCHEMBL18041313 0.76 TLR8 (0.67) TLR8TLR7
SCHEMBL20442362 0.74 TLR8 (0.41) TLR8BRD9TOP2ATOP2BCYP17A1
SCHEMBL2333056 0.74 TLR8 (0.51) TLR8TLR7
SCHEMBL21912241 0.73 TLR8 (0.72) TLR8TLR7
SCHEMBL25688112 0.73 TLR8 (0.69) TLR8TLR7
SCHEMBL16592818 0.72 TLR8 (0.41) TLR8MEN1NPC1RAB9AKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019118884-A1 ANTIBODY CONSTRUCT-DRUG CONJUGATE FOR THE TREATMENT OF HEPATITIS SILVERBACK THERAPEUTICS, INC. (US) 2019-06-20 WO disclosed