SCHEMBL508811

SCHEMBL508811

NN=C(N)NC(NC(N)=NN)(C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.38

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
SCHEMBL508182 0.69 CYP2C19 (0.33)
SCHEMBL7559070 0.65
SCHEMBL2148487 0.62
Hydrochloric Acid SCHEMBL27756539 0.61 NOS1 (0.45) NOS1
SCHEMBL14119004 0.61
SCHEMBL24021305 0.60
SCHEMBL9691677 0.60
Hydrochloric Acid SCHEMBL27464690 0.60 NOS1 (0.43) NOS1
SCHEMBL11802236 0.60 NOS1 (0.43) NOS1
Pimagedine SCHEMBL7941763 0.58

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-20120024437-A1 PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION ALLIANT TECHSYSTEMS INC. (US) 2012-02-02 US claimed
US-8425702-B2 Precursor of an explosive composition including at least one ionic liquid and a method of desensitizing an explosive composition ALLIANT TECHSYSTEMS INC. (US) 2013-04-23 US disclosed
US-20120024437-A1 PRECURSOR OF AN EXPLOSIVE COMPOSITION INCLUDING AT LEAST ONE IONIC LIQUID AND A METHOD OF DESENSITIZING AN EXPLOSIVE COMPOSITION ALLIANT TECHSYSTEMS INC. (US) 2012-02-02 US disclosed