SCHEMBL5290776

SCHEMBL5290776

CCCn1nnc(Br)c1CC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.38
SLC9A1 P19634 1/20 0.35
GRIA4 P48058 1/20 0.35
ALDH1A1 P00352 1/20 0.32
TOP2A P11388 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
SCHEMBL5277460 0.90 GRM2 (0.41) GRM2SLC9A1TOP2A
SCHEMBL5279525 0.87 SLC9A1 (0.41) GRM2SLC9A1ALDH1A1
SCHEMBL5279319 0.85 GRM2 (0.35) GRM2SLC9A1GRIA4
SCHEMBL5278524 0.81 GRM2 (0.42) GRM2SLC9A1GRIA4ALDH1A1TOP2A
SCHEMBL5276074 0.80 SLC9A1 (0.36) GRM2SLC9A1GRIA4ALDH1A1TOP2A
SCHEMBL5278844 0.80 SLC9A1 (0.36) GRM2SLC9A1GRIA4ALDH1A1TOP2A
SCHEMBL5281430 0.79 GRM2 (0.41) GRM2SLC9A1GRIA4ALDH1A1TOP2A
SCHEMBL5276157 0.79 SLC9A1 (0.35) GRM2SLC9A1GRIA4ALDH1A1TOP2A
SCHEMBL5277691 0.79 SLC9A1 (0.35) GRM2SLC9A1GRIA4ALDH1A1TOP2A
SCHEMBL5279099 0.79 SLC9A1 (0.35) GRM2SLC9A1GRIA4ALDH1A1TOP2A

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