SCHEMBL7248545

SCHEMBL7248545

O=[N+]([O-])C12C3C4([N+](=O)[O-])C1C1([N+](=O)[O-])C2C3([N+](=O)[O-])C41

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA5A P35218 1/20 0.31
CA5B Q9Y2D0 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
SCHEMBL7250432 0.77 MEN1 (0.33) MEN1KMT2ACA5ACA5B
SCHEMBL27842090 0.69
SCHEMBL28045602 0.63
SCHEMBL272906 0.61 MEN1 (0.42) MEN1KMT2ACA5ACA5B
SCHEMBL31709992 0.57 MEN1 (0.86) MEN1KMT2ACA5ACA5B
SCHEMBL9093617 0.57 MEN1 (0.86) MEN1KMT2ACA5ACA5B
SCHEMBL14916717 0.57 MEN1 (0.86) MEN1KMT2ACA5ACA5B
SCHEMBL136652 0.57
SCHEMBL23398193 0.52 MEN1 (0.75) MEN1KMT2ACA5ACA5B
SCHEMBL11659685 0.52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635131-B2 Protective devices used in automobiles comprising air bags having oxidizers, binders and nitro compounds such as 1,4-dinitrocubane or 1,3,5,7-tetranitrocubane TRW INC. 2003-10-21 US claimed
US-20020135169-A1 Gas generating material for a vehicle occupant protection apparatus TRW INC. AND TRW VEHICLE SAFETY SYSTEMS INC. 2002-09-26 US claimed
US-6635131-B2 Protective devices used in automobiles comprising air bags having oxidizers, binders and nitro compounds such as 1,4-dinitrocubane or 1,3,5,7-tetranitrocubane TRW INC. 2003-10-21 US disclosed
US-20020135169-A1 Gas generating material for a vehicle occupant protection apparatus TRW INC. AND TRW VEHICLE SAFETY SYSTEMS INC. 2002-09-26 US disclosed
US-5998661-A Preparations of organic nitro compounds through mixed oxidizing agents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1999-12-07 US disclosed