SCHEMBL8043742

SCHEMBL8043742

N#Cc1ccc([N+]([O-])=Cc2ccc(N)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.44
ALDH1A1 P00352 8/20 0.42
MAPT P10636 6/20 0.42
NPC1 O15118 4/20 0.42
G6PD P11413 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PGR P06401 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
APP P05067 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL8039810 0.83 CA12 (0.53) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL11405230 0.83 MAPT (0.63) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL28522622 0.83 ALDH1A1 (0.61) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL12355299 0.83 G6PD (0.61) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL2240554 0.83 G6PD (0.61) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL28605332 0.83 ALDH1A1 (0.61) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL506738 0.80 FBP1 (0.44) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL506585 0.80 RAB9A (0.58) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL11404347 0.77 ALDH1A1 (0.69) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL8041871 0.77 ALDH1A1 (0.67) FBP1ALDH1A1MAPTNPC1G6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0894286-A1 NITRONE COMPOUNDS AS PHOTOPOLYMER POLYMERIZATION INHIBITORS AND CONTRAST ENHANCING ADDITIVES AlliedSignal Inc. (US) 1999-02-03 EP claimed
WO-1997040421-A1 NITRONE COMPOUNDS AS PHOTOPOLYMER POLYMERIZATION INHIBITORS AND CONTRAST ENHANCING ADDITIVES ALLIEDSIGNAL INC. (US) 1997-10-30 WO claimed
US-6162579-A Nitrone compounds as photopolymer polymerization inhibitors and contrast enhancing additives CORNING INCORPORATED (US) 2000-12-19 US disclosed
EP-0894286-A1 NITRONE COMPOUNDS AS PHOTOPOLYMER POLYMERIZATION INHIBITORS AND CONTRAST ENHANCING ADDITIVES AlliedSignal Inc. (US) 1999-02-03 EP disclosed
WO-1997040421-A1 NITRONE COMPOUNDS AS PHOTOPOLYMER POLYMERIZATION INHIBITORS AND CONTRAST ENHANCING ADDITIVES ALLIEDSIGNAL INC. (US) 1997-10-30 WO disclosed