SCHEMBL7777206

SCHEMBL7777206

O=[N+]([O-])C1=NC([N+](=O)[O-])=NC([N+](=O)[O-])=NC([N+](=O)[O-])=N1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL16243726 0.78
SCHEMBL13196509 0.76
SCHEMBL11318262 0.72 TDP1 (0.33) LMNA
SCHEMBL31709992 0.57 MEN1 (0.86) MEN1KMT2AALDH1A1CA5ACA5B
SCHEMBL9093617 0.57 MEN1 (0.86) MEN1KMT2AALDH1A1CA5ACA5B
SCHEMBL14916717 0.57 MEN1 (0.86) MEN1KMT2AALDH1A1CA5ACA5B
SCHEMBL136652 0.57
SCHEMBL23398193 0.52 MEN1 (0.75) MEN1KMT2AALDH1A1CA5ACA5B
SCHEMBL2485241 0.52 MEN1 (0.75) MEN1KMT2AALDH1A1CA5ACA5B
SCHEMBL144783 0.52 MEN1 (0.75) MEN1KMT2AALDH1A1CA5ACA5B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014123510-A1 METHODS OF CONTROLLING THE DYNAMIC PRESSURE CREATED DURING DETONATION OF A SHAPED CHARGE USING A SUBSTANCE HALLIBURTON ENERGY SERVICES, INC. (US) 2014-08-14 WO claimed
WO-2014123510-A1 METHODS OF CONTROLLING THE DYNAMIC PRESSURE CREATED DURING DETONATION OF A SHAPED CHARGE USING A SUBSTANCE HALLIBURTON ENERGY SERVICES, INC. (US) 2014-08-14 WO disclosed
EP-1121331-A1 MICROBIOLOGICAL METHOD FOR ELIMINATING A NITROAROMATIC COMPOUND Commissariat à l'Energie Atomique (FR) 2001-08-08 EP disclosed
WO-2000018693-A1 MICROBIOLOGICAL METHOD FOR ELIMINATING A NITROAROMATIC COMPOUND COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2000-04-06 WO disclosed