SCHEMBL10779236

SCHEMBL10779236

COc1cc(OC)c([N+](=O)[O-])nc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.58
LMNA P02545 3/20 0.58
HPGD P15428 1/20 0.55
S1PR4 O95977 3/20 0.46
HTT P42858 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL31406159 0.87 MAPT (0.51) ALDH1A1MAPTLMNAHPGDS1PR4
SCHEMBL31406158 0.87 MAPT (0.59) ALDH1A1MAPTLMNAHPGDS1PR4
SCHEMBL10778082 0.87 MAPT (0.48) ALDH1A1MAPTLMNAHPGDS1PR4
SCHEMBL15570374 0.87 MAPT (0.51) ALDH1A1MAPTLMNAHPGDS1PR4
SCHEMBL31406165 0.87 ALDH1A1 (0.51) ALDH1A1MAPTLMNAHPGDS1PR4
SCHEMBL31728089 0.80 MAPT (0.49) ALDH1A1MAPTLMNAHPGDS1PR4
SCHEMBL11804530 0.79 S1PR4 (0.44) ALDH1A1MAPTLMNAHPGDS1PR4
SCHEMBL31727276 0.79 MAPT (0.45) ALDH1A1MAPTLMNAHPGDS1PR4
SCHEMBL29560142 0.79 MAPT (0.45) ALDH1A1MAPTLMNAHPGDS1PR4
SCHEMBL2230214 0.79 TLR8 (0.54) ALDH1A1MAPTLMNAHPGDS1PR4

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 3 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
US-4713080-A OXIDATIVE COLORING WELLA AKTIENGESELLSCHAFT (DE) 1987-12-15 US disclosed