SCHEMBL8724465

SCHEMBL8724465

CNNc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
RECQL P46063 1/20 0.56
HSD17B10 Q99714 1/20 0.56
APP P05067 1/20 0.55
MAPT P10636 4/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
FBP1 P09467 1/20 0.53
PTGS2 P35354 7/20 0.51
PTGS1 P23219 2/20 0.51
CYP19A1 P11511 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL8724466 1.00 ALDH1A1 (0.56) ALDH1A1RECQLHSD17B10APPMAPT
SCHEMBL6550986 0.89 ALDH1A1 (0.69) ALDH1A1RECQLHSD17B10MAPTNPC1
Hydrochloric Acid SCHEMBL29117547 0.87 ALDH1A1 (0.67) ALDH1A1RECQLHSD17B10MAPTNPC1
SCHEMBL8506713 0.86 ALDH1A1 (0.78) ALDH1A1RECQLHSD17B10APPMAPT
SCHEMBL8506711 0.86 ALDH1A1 (0.78) ALDH1A1RECQLHSD17B10APPMAPT
SCHEMBL458178 0.81 APP (0.78) APPMAPTRAB9ANPC1FBP1
SCHEMBL14947048 0.81 APP (0.78) APPMAPTRAB9ANPC1FBP1
SCHEMBL9170800 0.81 APP (0.78) APPMAPTRAB9ANPC1FBP1
SCHEMBL458177 0.81 APP (0.78) APPMAPTRAB9ANPC1FBP1
SCHEMBL9170804 0.81 APP (0.78) APPMAPTRAB9ANPC1FBP1

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 2 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
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