SCHEMBL5288307

SCHEMBL5288307

CCCc1nc(CCCc2ccccc2)cn1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TLR8 Q9NR97 1/20 0.47
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
SPNS2 Q8IVW8 1/20 0.41
CYP19A1 P11511 4/20 0.40
HSD11B1 P28845 2/20 0.40
GSK3B P49841 1/20 0.40
HPSE Q9Y251 1/20 0.40
ADORA1 P30542 1/20 0.39

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
SCHEMBL5303190 0.93 TLR8 (0.49) TLR8NOS3NOS1NOS2SPNS2
SCHEMBL5818119 0.91 TLR8 (0.51) TLR8NOS3NOS1NOS2SPNS2
SCHEMBL5819373 0.90 SPNS2 (0.53) LMNATLR8SPNS2CYP19A1HSD11B1
SCHEMBL5810924 0.90 SPNS2 (0.53) LMNATLR8SPNS2CYP19A1HSD11B1
SCHEMBL5296554 0.90 SPNS2 (0.53) LMNATLR8SPNS2CYP19A1HSD11B1
SCHEMBL5304779 0.90 SPNS2 (0.53) LMNATLR8SPNS2CYP19A1HSD11B1
SCHEMBL5288827 0.90 SPNS2 (0.53) LMNATLR8SPNS2CYP19A1HSD11B1
SCHEMBL5304085 0.90 SPNS2 (0.53) LMNATLR8SPNS2CYP19A1HSD11B1
SCHEMBL5814869 0.90 SPNS2 (0.53) LMNATLR8SPNS2CYP19A1HSD11B1
SCHEMBL5286892 0.90 SPNS2 (0.53) LMNATLR8SPNS2CYP19A1HSD11B1

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