SCHEMBL8041871

SCHEMBL8041871

Nc1ccc(C=[N+]([O-])c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
MAPT P10636 7/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
APP P05067 1/20 0.48
ESR1 P03372 2/20 0.47
CYP19A1 P11511 2/20 0.47
ESR2 Q92731 2/20 0.47
FBP1 P09467 2/20 0.47
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.45
POLB P06746 1/20 0.45
G6PD P11413 2/20 0.44
RAB9A P51151 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44

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
SCHEMBL11404531 0.83 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AMEN1APP
SCHEMBL12018202 0.83 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AMEN1APP
SCHEMBL900894 0.82 ALDH1A1 (0.75) ALDH1A1MAPTKMT2AMEN1APP
SCHEMBL900893 0.82 ALDH1A1 (0.75) ALDH1A1MAPTKMT2AMEN1APP
4-Nitroaniline SCHEMBL16451 0.82 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AMEN1ESR1
4-Nitroaniline SCHEMBL27963818 0.82 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AMEN1ESR1
SCHEMBL9065915 0.82 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AMEN1ESR1
4-Nitroaniline SCHEMBL13529022 0.82 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AMEN1ESR1
SCHEMBL11410425 0.81 MAPT (0.69) ALDH1A1MAPTAPPFBP1NPC1
SCHEMBL11404347 0.81 ALDH1A1 (0.69) ALDH1A1MAPTKMT2AMEN1FBP1

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