SCHEMBL9480352

SCHEMBL9480352

CC(=O)OCN(CN(CN(C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9444050 0.93 ALDH1A1 (0.34) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL9444052 0.93 ALDH1A1 (0.34) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL9477174 0.79 ALDH1A1 (0.39) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL9451407 0.79 TSHR (0.32)
SCHEMBL10703389 0.74
SCHEMBL9481113 0.72
SCHEMBL10846149 0.67
SCHEMBL1363525 0.67 TSHR (0.37) ALDH1A1
SCHEMBL1363079 0.66 HCAR3 (0.31) ALDH1A1
SCHEMBL11807768 0.65 ALDH1A1 (0.37) ALDH1A1

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-5243075-A Process for producing N-chloromethyl nitramines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-09-07 US claimed
US-5243075-A Process for producing N-chloromethyl nitramines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-09-07 US disclosed
US-5243075-A Process for producing N-chloromethyl nitramines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-09-07 US disclosed