SCHEMBL11882014

SCHEMBL11882014

O=C(CCC(F)([N+](=O)[O-])[N+](=O)[O-])CCC(F)([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
HBB P68871 1/20 0.32
KMT2A Q03164 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9420199 0.83 LMNA (0.46) LMNAMEN1BLMHBBKMT2A
SCHEMBL9420217 0.81 TSHR (0.33) LMNAMEN1BLMHBBKMT2A
SCHEMBL9442928 0.73 ALDH1A1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL9442916 0.71
SCHEMBL1700920 0.70 LMNA (0.48) LMNAALDH1A1TSHRTDP1
SCHEMBL3589092 0.69 HTT (0.31)
SCHEMBL11594851 0.69
SCHEMBL9760638 0.68 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11595886 0.67 TSHR (0.37) LMNAALDH1A1TSHRTDP1
SCHEMBL9561357 0.67 HTT (0.32) LMNAALDH1A1

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-3714260-A 4,4-BIS (DIFLUORAMINO)-1,7-DIFLUORO-1,1,7,7-TETRANITROHEPTANE US NAVY 1973-01-30 US disclosed