SCHEMBL11517162

SCHEMBL11517162

O=[N+]([O-])Nc1c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8975921 0.92 ALDH1A1 (0.31) ALDH1A1TSHRTDP1
SCHEMBL29094191 0.92 ALDH1A1 (0.33) ALDH1A1TSHRTDP1
SCHEMBL11046564 0.87 TDP1 (0.34) ALDH1A1TSHRTDP1
SCHEMBL11042004 0.85 TDP1 (0.37) ALDH1A1TSHRTDP1
SCHEMBL11040250 0.84 TDP1 (0.35) ALDH1A1TSHRTDP1
SCHEMBL11566698 0.75 TSHR (0.46) ALDH1A1TSHRTDP1
SCHEMBL1194020 0.74 TSHR (0.45) ALDH1A1TSHRTDP1
SCHEMBL11044607 0.71 TSHR (0.42) ALDH1A1TSHRTDP1
SCHEMBL29088199 0.63 ALDH1A1 (0.41) ALDH1A1TSHRTDP1
SCHEMBL13199105 0.61 TDP1 (0.48) ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4145969-A Priming system for high-temperature stable propellants DYNAMIT NOBEL AG (DE) 1979-03-27 US claimed
US-4145969-A Priming system for high-temperature stable propellants DYNAMIT NOBEL AG (DE) 1979-03-27 US disclosed