SCHEMBL5289876

SCHEMBL5289876

CCCn1cc(CCCc2ccccc2)nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.50
HSD11B1 P28845 2/20 0.50
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
TSHR P16473 1/20 0.41
GSK3B P49841 2/20 0.40
NR1H3 Q13133 1/20 0.40
TMIGD3 P0DMS9 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
GRM2 Q14416 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
AURKB Q96GD4 1/20 0.38
PDE10A Q9Y233 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
SCHEMBL5306278 0.93 TLR8 (0.55) TLR8HSD11B1NOS3NOS1NOS2
SCHEMBL5292325 0.92 TLR8 (0.61) TLR8HSD11B1NOS3NOS1NOS2
SCHEMBL5299482 0.91 TLR8 (0.60) TLR8HSD11B1NOS3NOS1NOS2
SCHEMBL5288194 0.91 TLR8 (0.60) TLR8HSD11B1NOS3NOS1NOS2
SCHEMBL5296598 0.91 TLR8 (0.60) TLR8HSD11B1NOS3NOS1NOS2
SCHEMBL5811655 0.91 TLR8 (0.60) TLR8HSD11B1NOS3NOS1NOS2
SCHEMBL5292687 0.91 TLR8 (0.60) TLR8HSD11B1NOS3NOS1NOS2
SCHEMBL5293056 0.91 TLR8 (0.60) TLR8HSD11B1NOS3NOS1NOS2
SCHEMBL5290885 0.91 TLR8 (0.60) TLR8HSD11B1NOS3NOS1NOS2
SCHEMBL5298716 0.91 TLR8 (0.60) TLR8HSD11B1NOS3NOS1NOS2

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed