SCHEMBL5285281

SCHEMBL5285281

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
SLC9A1 P19634 1/20 0.35
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 3/20 0.35
KMT2A Q03164 3/20 0.35
BLM P54132 1/20 0.35
TOP2A P11388 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
JAK2 O60674 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 2/20 0.32
HPGD P15428 1/20 0.32
GRIA4 P48058 1/20 0.32
HCAR3 P49019 1/20 0.32
GRM2 Q14416 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
SCHEMBL5286658 0.90 SLC9A1 (0.38) ALDH1A1SLC9A1MAPTSMN1; SMN2LMNA
SCHEMBL5288803 0.87 SLC9A1 (0.41) ALDH1A1SLC9A1MAPTLMNAKMT2A
SCHEMBL5282394 0.85 NPC1 (0.34) ALDH1A1SLC9A1MAPTSMN1; SMN2LMNA
SCHEMBL5276496 0.82 SMN1; SMN2 (0.38) ALDH1A1SLC9A1MAPTSMN1; SMN2LMNA
SCHEMBL5279828 0.82 SLC9A1 (0.35) ALDH1A1SLC9A1MAPTSMN1; SMN2LMNA
SCHEMBL5283087 0.82 GRM2 (0.38) ALDH1A1SLC9A1LMNATOP2AGRIA4
SCHEMBL5280639 0.81 MAPT (0.37) ALDH1A1SLC9A1MAPTSMN1; SMN2LMNA
SCHEMBL5279347 0.81 SMN1; SMN2 (0.37) ALDH1A1SLC9A1MAPTSMN1; SMN2LMNA
SCHEMBL5279213 0.81 KDM4E (0.42) ALDH1A1SLC9A1MAPTSMN1; SMN2LMNA
SCHEMBL5279006 0.81 GRM2 (0.37) ALDH1A1SLC9A1MAPTSMN1; SMN2LMNA

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