SCHEMBL5286658

SCHEMBL5286658

CCCCn1nnc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.38
TOP2A P11388 1/20 0.36
ALDH1A1 P00352 4/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GRM2 Q14416 1/20 0.35
HCAR3 P49019 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
CNR2 P34972 1/20 0.33
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL5288803 0.94 SLC9A1 (0.41) SLC9A1ALDH1A1ATML3MBTL1HCAR3
SCHEMBL5285281 0.90 ALDH1A1 (0.36) SLC9A1TOP2AALDH1A1ATML3MBTL1
SCHEMBL5276240 0.83 ALDH1A1 (0.41) SLC9A1TOP2AALDH1A1ATML3MBTL1
SCHEMBL5284602 0.83 GRM2 (0.41) SLC9A1TOP2AALDH1A1GRM2HCAR3
SCHEMBL5277364 0.83 SLC9A1 (0.38) SLC9A1TOP2AALDH1A1ATML3MBTL1
SCHEMBL5282394 0.82 NPC1 (0.34) SLC9A1TOP2AALDH1A1KMT2ALMNA
SCHEMBL5276739 0.82 SLC9A1 (0.37) SLC9A1TOP2AALDH1A1ATML3MBTL1
SCHEMBL5282873 0.82 GRM2 (0.40) SLC9A1TOP2AALDH1A1ATML3MBTL1
SCHEMBL5274598 0.82 SLC9A1 (0.37) SLC9A1TOP2AALDH1A1ATML3MBTL1
SCHEMBL5278791 0.82 SLC9A1 (0.37) SLC9A1TOP2AALDH1A1GRM2HCAR3

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