SCHEMBL8039810

SCHEMBL8039810

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA6 P23280 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
MMP3 P08254 1/20 0.48
FBP1 P09467 5/20 0.47
P4HB P07237 1/20 0.45
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 2/20 0.42
G6PD P11413 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL11415889 0.86 ALDH1A1 (0.53) CA12CA2CA3CA6CA9
SCHEMBL8043742 0.83 FBP1 (0.44) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL11405230 0.83 MAPT (0.63) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL2240554 0.83 G6PD (0.61) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL28605332 0.83 ALDH1A1 (0.61) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL12355299 0.83 G6PD (0.61) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL28522622 0.83 ALDH1A1 (0.61) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL506585 0.80 RAB9A (0.58) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL506738 0.80 FBP1 (0.44) FBP1ALDH1A1MAPTNPC1G6PD
SCHEMBL3718231 0.77 ALDH1A1 (0.69) 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