SCHEMBL5283437

SCHEMBL5283437

CCCCCCn1nnc(CC(C)C)c1C#N

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
CYP19A1 P11511 3/20 0.32
HCAR3 P49019 1/20 0.31
HTT P42858 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
SCHEMBL5279955 0.94 SLC9A1 (0.36) SLC9A1HCAR3HTT
SCHEMBL5275820 0.88 HTT (0.33) SLC9A1HTT
SCHEMBL5274744 0.85 SLC9A1 (0.42) SLC9A1CYP19A1HCAR3MAPT
SCHEMBL5282456 0.84 SLC9A1 (0.41) SLC9A1CYP19A1HCAR3MAPT
SCHEMBL5275209 0.84 SLC9A1 (0.41) SLC9A1CYP19A1HCAR3MAPT
SCHEMBL5276216 0.82 HTT (0.35) HTT
SCHEMBL5279878 0.80 SLC9A1 (0.38) SLC9A1HCAR3MAPT
SCHEMBL5283673 0.79 SLC9A1 (0.40) SLC9A1CYP19A1HCAR3MAPT
SCHEMBL5283888 0.79 SLC9A1 (0.42) SLC9A1HCAR3MAPT
SCHEMBL5288514 0.79 SLC9A1 (0.42) SLC9A1HCAR3MAPT

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