SCHEMBL11513830

SCHEMBL11513830

C[Si](CCC(F)([N+](=O)[O-])[N+](=O)[O-])(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
MAPT P10636 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL11516366 0.73
SCHEMBL11515173 0.71 ALDH1A1 (0.38) MAPTALDH1A1LMNA
SCHEMBL11516390 0.71
SCHEMBL11514834 0.70 KMT2A (0.33) MAPTALDH1A1LMNA
SCHEMBL9225762 0.70 ESR1 (0.42) NR1H2NR1H3MAPTESR1ESR2
SCHEMBL11516574 0.70 LMNA (0.32) LMNA
SCHEMBL11414930 0.67 ALDH1A1 (0.32) MAPTALDH1A1LMNA
SCHEMBL3454933 0.67 MAPT (0.37) NR1H2NR1H3MAPTESR1ESR2
SCHEMBL11515619 0.66
SCHEMBL11515654 0.65 CYP1A2 (0.32) ALDH1A1LMNA

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-4139403-A Dinitroalkyl and fluorodinitroalkyl silicon compounds THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1979-02-13 US disclosed