SCHEMBL8645474

SCHEMBL8645474

O=[N+]([O-])c1ccc(/C=C/c2ccc(N(CCO)CCO)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.51
PTGS1 P23219 2/20 0.51
MAPT P10636 5/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
APP P05067 2/20 0.50
FBP1 P09467 2/20 0.49
CYP19A1 P11511 2/20 0.47
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
PPARG P37231 1/20 0.44
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL8422918 1.00 PTGS2 (0.51) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL9512215 0.94 APP (0.60) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL9512221 0.94 APP (0.60) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL9512198 0.93 APP (0.63) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL9512194 0.93 APP (0.63) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL9787348 0.93 APP (0.63) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL9512190 0.93 APP (0.63) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL531065 0.91 ALDH1A1 (0.55) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL531064 0.91 ALDH1A1 (0.55) PTGS2PTGS1MAPTNPC1RAB9A
SCHEMBL168393 0.90 ALDH1A1 (0.54) MAPTALDH1A1POLBGAAMEN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0868682-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE Akzo Nobel N.V. (NL) 1998-10-07 EP disclosed
EP-0664014-B1 NLO SIDE CHAIN POLYMERS HAVING LOW OPTICAL LOSS AKZO NOBEL NV (NL) 1998-08-19 EP disclosed
US-5688896-A Non-linear optically active polycarbonate AKZO NOBEL N.V. (NL) 1997-11-18 US disclosed
WO-1997023807-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE AKZO NOBEL N.V. (NL) 1997-07-03 WO disclosed
US-5588083-A Non-linear optically active polycarbonate AKZO NOBEL N.V. (NL) 1996-12-24 US disclosed
WO-1996003674-A1 BLEACHABLE OPTICAL WAVEGUIDE COMPONENT AKZO NOBEL N.V. (NL) 1996-02-08 WO disclosed
EP-0650502-A1 NON-LINEAR OPTICALLY ACTIVE POLYURETHANES HAVING HIGH GLASS TRANSITION TEMPERATURES Akzo Nobel N.V. (NL) 1995-05-03 EP disclosed
EP-0645413-A1 Non-linear optically active polycarbonate Akzo Nobel N.V. (NL) 1995-03-29 EP disclosed
WO-1994001480-A1 NON-LINEAR OPTICALLY ACTIVE POLYURETHANES HAVING HIGH GLASS TRANSITION TEMPERATURES AKZO NOBEL N.V. (NL) 1994-01-20 WO disclosed
EP-0350112-B1 POLYURETHANES PREPARED FROM NON-LINEAR OPTICAL ACTIVE DIOLS Akzo Nobel N.V. (NL) 1993-10-06 EP disclosed
US-5001209-A Non-linear optical active diols and polyurethanes prepared therefrom AKZO N.V. (NL) 1991-03-19 US disclosed
EP-0350112-A1 Polyurethanes prepared from non-linear optical active diols Akzo Nobel N.V. (NL) 1990-01-10 EP disclosed