SCHEMBL8904328

SCHEMBL8904328

O=[N+]([O-])c1ccc(C=Cc2ccc(N(CO)CO)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.54
PTGS1 P23219 2/20 0.54
APP P05067 2/20 0.53
MAPT P10636 3/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
FBP1 P09467 2/20 0.51
CYP19A1 P11511 2/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
MAOB P27338 2/20 0.45
BCHE P06276 1/20 0.45
CRHBP P24387 1/20 0.43
ATM Q13315 1/20 0.43
CRHR2 Q13324 1/20 0.43
TLR9 Q9NR96 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL8904325 1.00 PTGS2 (0.54) PTGS2PTGS1APPMAPTNPC1
SCHEMBL8422918 0.87 PTGS2 (0.51) PTGS2PTGS1APPMAPTNPC1
SCHEMBL8645474 0.87 PTGS2 (0.51) PTGS2PTGS1APPMAPTNPC1
SCHEMBL8905957 0.84 MAPT (0.53) PTGS2PTGS1APPMAPTNPC1
SCHEMBL8905953 0.84 MAPT (0.53) PTGS2PTGS1APPMAPTNPC1
SCHEMBL8927014 0.83 ALDH1A1 (0.69) PTGS2PTGS1APPMAPTNPC1
SCHEMBL8927017 0.83 ALDH1A1 (0.69) PTGS2PTGS1APPMAPTNPC1
SCHEMBL8905881 0.83 APP (0.53) PTGS2PTGS1APPMAPTNPC1
SCHEMBL8905866 0.83 APP (0.53) PTGS2PTGS1APPMAPTNPC1
SCHEMBL10399728 0.83 PTGS2 (0.48) PTGS2PTGS1APPMAPTNPC1

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-5598005-A Non-destructive method for determining the extent of cure of a polymerizing material and the solidification of a thermoplastic polymer based on wavelength shift of fluroescence THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE COMMERCE (US) 1997-01-28 US disclosed