SCHEMBL13738003

SCHEMBL13738003

O=[N+]([O-])N1C2C3N([N+](=O)[O-])[C@H]4[C@H](N([N+](=O)[O-])C(C1N4[N+](=O)[O-])N2[N+](=O)[O-])N3[N+](=O)[O-]

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
SCHEMBL272402 1.00 MEN1 (0.33) MEN1KMT2ACA5ACA5B
Water SCHEMBL8881776 0.96 MEN1 (0.31) MEN1KMT2A
SCHEMBL12342456 0.85
SCHEMBL16800351 0.85
SCHEMBL13627216 0.83
SCHEMBL16136765 0.81
SCHEMBL13613414 0.78 MAPT (0.30)
SCHEMBL19327426 0.72 TSHR (0.30)
SCHEMBL14916717 0.57 MEN1 (0.86) MEN1KMT2ACA5ACA5B
SCHEMBL136652 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090208647-A1 Method for producing a funtional, high-energy material NITROCHEMIE WIMMIS AG (CH) 2009-08-20 US disclosed