SCHEMBL5814723

SCHEMBL5814723

Cn1cc(CCCc2ccccc2)nc1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
TLR8 Q9NR97 2/20 0.42
HPSE Q9Y251 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
LTA4H P09960 1/20 0.40
GSK3B P49841 2/20 0.39
GSK3A P49840 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTB4R Q15722 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 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
SCHEMBL5305112 0.88 RECQL (0.46) NOS3NOS1NOS2TLR8HPSE
SCHEMBL5288307 0.86 LMNA (0.48) NOS3NOS1NOS2TLR8HPSE
SCHEMBL5303190 0.85 TLR8 (0.49) NOS3NOS1NOS2TLR8GSK3B
SCHEMBL5818119 0.84 TLR8 (0.51) NOS3NOS1NOS2TLR8GSK3B
SCHEMBL5819373 0.82 SPNS2 (0.53) TLR8L3MBTL1
SCHEMBL5304085 0.82 SPNS2 (0.53) TLR8L3MBTL1
SCHEMBL5810924 0.82 SPNS2 (0.53) TLR8L3MBTL1
SCHEMBL5286892 0.82 SPNS2 (0.53) TLR8L3MBTL1
SCHEMBL5814869 0.82 SPNS2 (0.53) TLR8L3MBTL1
SCHEMBL5292769 0.82 SPNS2 (0.53) TLR8L3MBTL1

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-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed