SCHEMBL362899

SCHEMBL362899

C/C(=N/O)[C@](c1ccc(C2CCN(S(C)(=O)=O)CC2)cc1)(c1ccnc(C)c1)c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.40
TLR7 Q9NYK1 11/20 0.40
WNT3A P56704 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
TLR9 Q9NR96 2/20 0.33
TP53 P04637 1/20 0.33
NPY5R Q15761 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PROKR1 Q8TCW9 1/20 0.32
MAP3K12 Q12852 1/20 0.32
SYK P43405 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
SCHEMBL364963 0.91 GPBAR1 (0.32) TLR8TLR7GPBAR1PROKR1
SCHEMBL362904 0.89 TLR8 (0.39) TLR8TLR7WNT3ATLR9TP53
SCHEMBL14965556 0.87 TP53 (0.34) TLR8TLR7TP53NPY5RMEN1
SCHEMBL362830 0.84 TLR9 (0.38) TLR8TLR7TLR9
SCHEMBL364452 0.82 GPBAR1 (0.31) GPBAR1
SCHEMBL364225 0.81 TLR8 (0.39) TLR8TLR7WNT3AGPBAR1TLR9
SCHEMBL362157 0.81 PROKR1 (0.34) TLR8TLR7GPBAR1PROKR1MAP3K12
SCHEMBL363246 0.80 NR1H2 (0.33) GPBAR1SYK
SCHEMBL14965404 0.80 TP53 (0.33) TP53NPY5RMEN1KMT2ASYK
SCHEMBL363070 0.79 ALDH1A1 (0.41) TLR8TLR7TP53KMT2APROKR1

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-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed