SCHEMBL9420199

SCHEMBL9420199

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
BLM P54132 1/20 0.46
HBB P68871 1/20 0.46
HIF1A Q16665 1/20 0.46
EGLN1 Q9GZT9 2/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
MAPK1 P28482 1/20 0.35
SLC13A3 Q8WWT9 1/20 0.35
OR51E2 Q9H255 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.33
NAALAD2 Q9Y3Q0 1/20 0.33
TSHR P16473 2/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 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
SCHEMBL11882014 0.83 LMNA (0.32) LMNAMEN1KMT2ABLMHBB
SCHEMBL9124317 0.80 LMNA (0.41) LMNAMEN1KMT2ABLMHBB
SCHEMBL9420217 0.79 TSHR (0.33) LMNAMEN1KMT2ABLMHBB
SCHEMBL4162551 0.78 LMNA (0.48) LMNAMEN1KMT2ABLMHBB
SCHEMBL328634 0.78 LMNA (0.48) LMNAMEN1KMT2ABLMHBB
SCHEMBL3998009 0.78 LMNA (0.48) LMNAMEN1KMT2ABLMHBB
SCHEMBL15282023 0.76 LMNA (0.34) LMNAMEN1KMT2ABLMHBB
SCHEMBL15443091 0.74 LMNA (0.44) LMNAMEN1KMT2ABLMHBB
SCHEMBL15570883 0.74 LMNA (0.44) LMNAMEN1KMT2ABLMHBB
SCHEMBL44822 0.74 ALDH1A1 (0.47) LMNAMEN1KMT2ABLMHBB

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-5292951-A 1,3,4-oxadiazoles containing the pentafluorothio (SF5) group THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1994-03-08 US disclosed
US-5274103-A 1,3,4-Oxadiazoles containing the pentafluorothio (SF5) Group THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-12-28 US disclosed
US-5241071-A 2-polynitroalkyl-5-perfluoroalkyl-1,3,4-oxadiazoles THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1993-08-31 US disclosed