SCHEMBL31406155

SCHEMBL31406155

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
PKM P14618 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.36
MCL1 Q07820 1/20 0.36
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL31406156 1.00 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TDP1PKMTSHR
SCHEMBL31406167 0.87 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1PKMTSHR
SCHEMBL31406163 0.87 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1PKMTSHR
SCHEMBL31406164 0.87 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1PKMTSHR
SCHEMBL31406160 0.87 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TDP1PKMTSHR
SCHEMBL1502237 0.81 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1TDP1PKMTSHR
SCHEMBL29158072 0.78 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1TDP1PKMTSHR
SCHEMBL3062195 0.73 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1TDP1MEN1KMT2A
SCHEMBL5765547 0.72 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1TDP1TSHRMEN1
SCHEMBL1502447 0.71 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TDP1PKMTSHR

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