SCHEMBL28024490

SCHEMBL28024490

Nc1c([N+](=O)[O-])c(N)c2c(nnn2O)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LMNA P02545 1/20 0.32
▸ PKM P14618 1/20 0.31

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
SCHEMBL438677 0.68 ALDH1A1 (0.40) MAPTLMNAPKM
Barium SCHEMBL31718046 0.66 ALDH1A1 (0.39) MAPTLMNAPKM
SCHEMBL29232798 0.63 ALDH1A1 (0.40) MAPTLMNAPKM
SCHEMBL16713904 0.63 S100A4 (0.40) MAPK1LMNAPKM
SCHEMBL28276642 0.63 MGMT (0.38) MAPTMAPK1LMNAPKM
SCHEMBL7861184 0.61 ALDH1A1 (0.39) MAPTLMNAPKM
SCHEMBL15598673 0.61 TSHR (0.42) MAPTLMNAPKM
SCHEMBL8151295 0.59 PKM (0.42) MAPTLMNAPKM
SCHEMBL9641539 0.59 TSHR (0.46) MAPTLMNAPKM
SCHEMBL22555902 0.59 ALDH1A1 (0.33) LMNAPKM

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-104788393-A Method for synthesizing 4,6-dinitro-5,7-diaminobenzotriazol-1-oxide XIAN MODERN CHEMISTRY RES INST 2015-07-22 — — CN disclosed
CN-104788393-A Method for synthesizing 4,6-dinitro-5,7-diaminobenzotriazol-1-oxide XIAN MODERN CHEMISTRY RES INST 2015-07-22 — — CN disclosed
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