SCHEMBL6230181

SCHEMBL6230181

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

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.31
CA5A P35218 1/20 0.30
CA5B Q9Y2D0 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
SCHEMBL4958118 0.76 HTT (0.31) HTTKMT2AALDH1A1TSHRGAA
SCHEMBL6228927 0.72 LMNA (0.36) KMT2AALDH1A1TSHR
SCHEMBL10978698 0.71 CA5A (0.33) HTTKMT2ACA5ACA5B
SCHEMBL6523333 0.67 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL24760 0.67
SCHEMBL8977861 0.67 CA5A (0.35) ALDH1A1TSHRCA5ACA5B
SCHEMBL8668631 0.67 CA5A (0.35) KMT2ACA5ACA5B
SCHEMBL8671743 0.65 SMN1; SMN2 (0.32) ALDH1A1GAA
Nitromethane SCHEMBL3273015 0.65 HTT (0.39) HTTKMT2AALDH1A1TSHRGAA
SCHEMBL10551921 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317415-B1 METHOD FOR PRODUCING DNDA DYNITEC GMBH (DE) 2005-03-23 EP claimed
US-6815561-B2 Method for producing DNDA DYNITEC GMBH (DE) 2004-11-09 US claimed
US-20030191346-A1 Method for producing dnda DYNITEC GMBH (DE) 2003-10-09 US claimed
US-4513148-A HYDROLYSIS OF 1,3-DIMETHYL-1,3-DINITROUREA THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1985-04-23 US claimed
US-6815561-B2 Method for producing DNDA DYNITEC GMBH (DE) 2004-11-09 US disclosed
US-20030191346-A1 Method for producing dnda DYNITEC GMBH (DE) 2003-10-09 US disclosed
US-4513148-A HYDROLYSIS OF 1,3-DIMETHYL-1,3-DINITROUREA THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1985-04-23 US disclosed
US-4513148-A HYDROLYSIS OF 1,3-DIMETHYL-1,3-DINITROUREA THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1985-04-23 US disclosed
US-4476322-A NITRATION DIMETHYLUREA, HYDROLYSIS. THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1984-10-09 US disclosed
US-4476322-A NITRATION DIMETHYLUREA, HYDROLYSIS. THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1984-10-09 US disclosed