SCHEMBL11778043

SCHEMBL11778043

O=[N+]([O-])c1ccc(Oc2cccc3c(Oc4ccc([N+](=O)[O-])c([N+](=O)[O-])c4)cccc23)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 5/20 0.50
TDP1 Q9NUW8 4/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
F10 P00742 1/20 0.46
HSPB1 P04792 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
PIN1 Q13526 1/20 0.41
TTR P02766 1/20 0.40
ALB P02768 1/20 0.40
THRB P10828 1/20 0.40
PDE7A Q13946 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL4845235 0.86 GPR35 (0.47) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL11775275 0.83 ALDH1A1 (0.51) ALDH1A1HTTMAPTTDP1SMN1; SMN2
SCHEMBL11777721 0.82 ALDH1A1 (0.57) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL4543292 0.82 ALDH1A1 (0.64) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL28276151 0.81 ALDH1A1 (0.49) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL4364077 0.80 POLB (0.48) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL10717379 0.77 ALDH1A1 (0.55) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL24155814 0.76 MAPT (0.73) ALDH1A1HTTMAPTTDP1LMNA
SCHEMBL10853274 0.76 EPAS1 (0.55) ALDH1A1HTTMAPTTDP1F10
SCHEMBL10854114 0.75 ALDH1A1 (0.70) ALDH1A1HTTMAPTTDP1LMNA

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-3944575-A Aryl ether compounds and their synthesis THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1976-03-16 US disclosed