SCHEMBL16136807

SCHEMBL16136807

CC(=O)N1C2C([N+](=O)[O-])C3N(C(C)=O)C1C([N+](=O)[O-])C(N2C(C)=O)N3C(C)=O

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55

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
Acetic Acid SCHEMBL27803641 0.60
SCHEMBL16136773 0.60
Acetic Acid SCHEMBL31390190 0.58 CA1 (0.57) SMN1; SMN2
Acetone SCHEMBL29265953 0.57 LMNA (0.50) SMN1; SMN2
Acetone SCHEMBL28399884 0.57 LMNA (0.50) SMN1; SMN2
Acetone SCHEMBL4838152 0.57
Acetone SCHEMBL7686620 0.57
SCHEMBL29289510 0.57 MEN1 (0.36)
Acetone SCHEMBL22579069 0.57 LMNA (0.50)
Acetone SCHEMBL8347999 0.57

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
US-9296706-B1 Synthesis of 2,6-dinitro-4,8,9,10-tetraaza-4,8,9,10-tetra-substituted adamantanes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2016-03-29 US disclosed
US-8895736-B1 Synthesis of substituted 2-nitromalonaldehyde intermediates toward the preparation of polyaza-adamantanes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2014-11-25 US disclosed
US-8853220-B1 Synthesis of 2,6,9-tri-substituted-4,8-dinitro-2,6,9-triazabicyclo[3.3.1]nona-3,7-diene intermediates toward the preparation of polyaza-adamantanes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2014-10-07 US disclosed