SCHEMBL5273252

SCHEMBL5273252

CCCn1nnc(C(C)(C)C)c1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.35
GRIA4 P48058 1/20 0.32
HCAR3 P49019 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRM2 Q14416 1/20 0.32
TOP2A P11388 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL5286379 0.90 SLC9A1 (0.38) SLC9A1HCAR3GRM2TOP2A
SCHEMBL5279359 0.87 SLC9A1 (0.41) SLC9A1HCAR3ALDH1A1
SCHEMBL5280913 0.85 SLC9A1 (0.32) SLC9A1
SCHEMBL5278726 0.84 SLC9A1 (0.34) SLC9A1GRIA4ALDH1A1GRM2
SCHEMBL5275508 0.84 SLC9A1 (0.34) SLC9A1GRIA4ALDH1A1GRM2
SCHEMBL5279617 0.83 SLC9A1 (0.33) SLC9A1GRIA4ALDH1A1GRM2
SCHEMBL5286531 0.81 SLC9A1 (0.33) SLC9A1GRIA4
SCHEMBL5282635 0.76 SLC9A1 (0.33) SLC9A1GRIA4HCAR3ALDH1A1GRM2
SCHEMBL5276004 0.76 GRIA4 (0.39) SLC9A1GRIA4ALDH1A1GRM2
SCHEMBL5276634 0.76 SLC9A1 (0.38) SLC9A1GRIA4HCAR3ALDH1A1GRM2

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