SCHEMBL11528628

SCHEMBL11528628

CC(=O)OCC(Br)([N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
GALR3 O60755 1/20 0.31
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRM3 P20309 1/20 0.30
TBXA2R P21731 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 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
SCHEMBL5576745 0.83 LMNA (0.37) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL1434500 0.83 LMNA (0.46) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7129223 0.79 LMNA (0.57) LMNAALDH1A1HSD17B10TP53MAPT
SCHEMBL14733092 0.78 ALDH1A1 (0.39) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL8400164 0.78 ALDH1A1 (0.39) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9407820 0.78 TRPA1 (0.40) LMNAALDH1A1
SCHEMBL11432862 0.78 ALDH1A1 (0.39) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7920970 0.77 ALDH1A1 (0.37) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL5528375 0.75 ALDH1A1 (0.36) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL10633499 0.75 ALDH1A1 (0.36) LMNAALDH1A1HSD17B10MEN1KMT2A

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-4141768-A POLYETHER ROCKWELL INTERNATIONAL CORPORATION (US) 1979-02-27 US disclosed