SCHEMBL5286196

SCHEMBL5286196

CCCCCCn1nnc(C#N)c1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
CYP19A1 P11511 6/20 0.32
HCAR3 P49019 1/20 0.32
GRIA4 P48058 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL5284970 0.94 SLC9A1 (0.36) SLC9A1HCAR3GRIA4
SCHEMBL5274202 0.88 GRIA4 (0.39) SLC9A1GRIA4
SCHEMBL5280839 0.86 SLC9A1 (0.42) SLC9A1CYP19A1HCAR3MAPT
SCHEMBL5280676 0.86 SLC9A1 (0.42) SLC9A1CYP19A1HCAR3MAPT
SCHEMBL5279791 0.84 SLC9A1 (0.43) SLC9A1CYP19A1HCAR3MAPT
SCHEMBL5276068 0.83 GRIA1 (0.36) GRIA4
SCHEMBL5280398 0.81 SLC9A1 (0.40) SLC9A1CYP19A1HCAR3MAPT
SCHEMBL5283888 0.80 SLC9A1 (0.42) SLC9A1HCAR3GRIA4MAPT
SCHEMBL5279798 0.80 SLC9A1 (0.42) SLC9A1HCAR3GRIA4MAPT
SCHEMBL5278982 0.80 SLC9A1 (0.39) SLC9A1CYP19A1HCAR3GRIA4

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
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed