SCHEMBL364225

SCHEMBL364225

Cc1cc([C@@](C/C=N/O)(c2ccc(C3CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 11/20 0.39
TLR7 Q9NYK1 11/20 0.39
GPBAR1 Q8TDU6 1/20 0.33
TLR9 Q9NR96 3/20 0.33
TP53 P04637 1/20 0.32
RORC P51449 1/20 0.32
KDR P35968 1/20 0.32
SYK P43405 1/20 0.32
NPY5R Q15761 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRCP P42785 1/20 0.32
WNT3A P56704 1/20 0.31

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
SCHEMBL363415 0.91 TLR8 (0.42) TLR8TLR7TLR9TP53RORC
SCHEMBL364904 0.90 TLR8 (0.38) TLR8TLR7TP53PRCP
SCHEMBL364583 0.84 TLR9 (0.38) TLR8TLR7GPBAR1TLR9
SCHEMBL371360 0.83 PROKR1 (0.38) TLR8TLR7GPBAR1TLR9WNT3A
SCHEMBL362899 0.81 TLR8 (0.40) TLR8TLR7GPBAR1TLR9TP53
SCHEMBL14965174 0.81 TP53 (0.33) TP53NPY5R
SCHEMBL362361 0.80 GPBAR1 (0.31) GPBAR1
SCHEMBL363668 0.79 RORC (0.40) RORCSYKMEN1KMT2A
SCHEMBL364312 0.78 SMO (0.33) RORC
SCHEMBL363962 0.78

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 4 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 claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
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