SCHEMBL5283087

SCHEMBL5283087

CCCn1nnc(Br)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.38
SLC9A1 P19634 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TOP2A P11388 1/20 0.33
GRIA4 P48058 1/20 0.32
HCAR3 P49019 1/20 0.32
LMNA P02545 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
SCHEMBL5284602 0.90 GRM2 (0.41) GRM2SLC9A1ALDH1A1TOP2AHCAR3
SCHEMBL5273507 0.87 SLC9A1 (0.41) GRM2SLC9A1ALDH1A1TOP2AHCAR3
SCHEMBL5289718 0.85 GRM2 (0.35) GRM2SLC9A1ALDH1A1TOP2A
SCHEMBL5279828 0.82 SLC9A1 (0.35) GRM2SLC9A1ALDH1A1TOP2AGRIA4
SCHEMBL5285281 0.82 ALDH1A1 (0.36) GRM2SLC9A1ALDH1A1TOP2AGRIA4
SCHEMBL5284832 0.81 ALDH1A1 (0.34) GRM2SLC9A1ALDH1A1TOP2AGRIA4
SCHEMBL5279426 0.81 TOP2A (0.36) GRM2SLC9A1ALDH1A1TOP2AGRIA4
SCHEMBL5284112 0.81 SLC9A1 (0.34) GRM2SLC9A1ALDH1A1TOP2AGRIA4
SCHEMBL5275930 0.79 SMN1; SMN2 (0.39) GRM2SLC9A1ALDH1A1TOP2AGRIA4
SCHEMBL5280475 0.78 MAPT (0.36) SLC9A1ALDH1A1TOP2AGRIA4HCAR3

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