SCHEMBL5282394

SCHEMBL5282394

CCn1nnc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC9A1 P19634 1/20 0.32
KDM4E B2RXH2 1/20 0.31
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
SCHEMBL5285281 0.85 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL5286658 0.82 SLC9A1 (0.38) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL5281132 0.81 SMN1; SMN2 (0.36) NPC1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5284830 0.81 ALDH1A1 (0.36) NPC1ALDH1A1SMN1; SMN2MAPTSLC9A1
SCHEMBL5289718 0.81 GRM2 (0.35) NPC1ALDH1A1SLC9A1TOP2A
SCHEMBL5288803 0.80 SLC9A1 (0.41) ALDH1A1LMNAMAPTKMT2ASLC9A1
SCHEMBL5276783 0.79 MAPT (0.35) NPC1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5277744 0.79 GRIA1 (0.34) NPC1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL5273637 0.79 NPC1 (0.33) NPC1ALDH1A1SLC9A1TOP2A
SCHEMBL5276637 0.79 NPC1 (0.33) NPC1ALDH1A1SLC9A1

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