SCHEMBL31406164

SCHEMBL31406164

COc1c([N+](=O)[O-])nc([N+](=O)[O-])c(Br)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
GRIN2D O15399 3/20 0.38
GRIN3B O60391 3/20 0.38
GRIN1 Q05586 3/20 0.38
GRIN2A Q12879 3/20 0.38
GRIN2B Q13224 3/20 0.38
GRIN2C Q14957 3/20 0.38
GRIN3A Q8TCU5 3/20 0.38
GPR35 Q9HC97 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 6/20 0.34
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
MCL1 Q07820 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL31406155 0.87 SMN1; SMN2 (0.44) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31406156 0.87 SMN1; SMN2 (0.44) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31406160 0.79 SMN1; SMN2 (0.39) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31406163 0.79 SMN1; SMN2 (0.39) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31406167 0.79 SMN1; SMN2 (0.39) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28688869 0.77 SMN1; SMN2 (0.46) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30673517 0.77 SMN1; SMN2 (0.46) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29158072 0.71 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1TSHRPKM
SCHEMBL29142979 0.69 SMN1; SMN2 (0.40) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30725566 0.69 SMN1; SMN2 (0.40) SMN1; SMN2GRIN2DGRIN3BGRIN1GRIN2A

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
CN-119569648-A Novel energetic compound and preparation method thereof 信阳师范学院 2025-03-07 CN disclosed