SCHEMBL5280475

SCHEMBL5280475

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.33
SLC9A1 P19634 1/20 0.33
PKM P14618 1/20 0.32
TOP2A P11388 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
GRIA4 P48058 1/20 0.30
HCAR3 P49019 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
SCHEMBL5278055 0.91 CNR1 (0.36) MAPTSLC9A1PKMTOP2ACNR1
SCHEMBL5281480 0.88 CNR1 (0.40) MAPTALDH1A1SLC9A1CNR1CNR2
SCHEMBL5281565 0.87 MAPT (0.35) MAPTALDH1A1PKM
SCHEMBL5279750 0.86 ALDH1A1 (0.37) ALDH1A1SLC9A1TOP2A
SCHEMBL5280161 0.86 ALDH1A1 (0.32) ALDH1A1SLC9A1TOP2A
SCHEMBL5278570 0.83 ALDH1A1 (0.31) ALDH1A1SLC9A1
SCHEMBL5280698 0.83 ALDH1A1 (0.31) ALDH1A1SLC9A1
SCHEMBL5281297 0.78 ALDH1A1 (0.31) ALDH1A1SLC9A1TOP2A
SCHEMBL5285281 0.78 ALDH1A1 (0.36) MAPTALDH1A1SLC9A1TOP2AGRIA4
SCHEMBL5283087 0.78 GRM2 (0.38) ALDH1A1SLC9A1TOP2AGRIA4HCAR3

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