SCHEMBL8905866

SCHEMBL8905866

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.53
MAPT P10636 4/20 0.53
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
FBP1 P09467 1/20 0.51
PTGS2 P35354 7/20 0.50
CYP19A1 P11511 2/20 0.50
PTGS1 P23219 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
LOXL2 Q9Y4K0 1/20 0.46
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
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL8905881 1.00 APP (0.53) APPMAPTRAB9ANPC1FBP1
SCHEMBL8904325 0.83 PTGS2 (0.54) APPMAPTRAB9ANPC1FBP1
SCHEMBL8927017 0.83 ALDH1A1 (0.69) APPMAPTRAB9ANPC1FBP1
SCHEMBL8927014 0.83 ALDH1A1 (0.69) APPMAPTRAB9ANPC1FBP1
SCHEMBL8904328 0.83 PTGS2 (0.54) APPMAPTRAB9ANPC1FBP1
SCHEMBL15870255 0.82 ALDH1A1 (0.55) APPMAPTRAB9ANPC1FBP1
SCHEMBL8422918 0.81 PTGS2 (0.51) APPMAPTRAB9ANPC1FBP1
SCHEMBL9651254 0.81 MAPT (0.50) APPMAPTRAB9ANPC1FBP1
SCHEMBL9362623 0.81 PTGS2 (0.55) APPMAPTRAB9ANPC1FBP1
SCHEMBL8610429 0.81 MAPT (0.50) 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 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