SCHEMBL6192517

SCHEMBL6192517

N#Cc1ccc(-c2ccc[c]c2[N+](=O)[O-])cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.37
EIF4E P06730 1/20 0.37
VCAM1 P19320 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
STAT3 P40763 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MAOB P27338 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
MMP3 P08254 1/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
IKBKB O14920 1/20 0.33
MERTK Q12866 2/20 0.33
IDO1 P14902 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
SCHEMBL6190375 0.84 ADRA2C (0.42) FBP1EIF4EVCAM1MAOBMAPT
SCHEMBL6683239 0.81 HTR7 (0.42) CA12CA1CA2CA9ALDH1A1
SCHEMBL3535919 0.80 ALDH1A1 (0.53) ALDH1A1TDP1MAPT
SCHEMBL6192267 0.80 HPRT1 (0.46) FBP1EIF4ECA12CA2CA9
SCHEMBL6191701 0.80 PTGS2 (0.40) FBP1EIF4EALDH1A1TDP1NPC1
SCHEMBL6194171 0.80 PTGS2 (0.40) FBP1EIF4EALDH1A1TDP1MAPT
SCHEMBL6192438 0.77 ESR2 (0.37) VCAM1ALDH1A1TDP1MAPT
SCHEMBL6191715 0.76 HTR7 (0.44) FBP1EIF4ESTAT3NPC1MAPT
SCHEMBL10904423 0.75 VCAM1 (0.42) FBP1EIF4EVCAM1CA12CA1
SCHEMBL6981433 0.74 ALDH1A1 (0.65) FBP1EIF4EVCAM1ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227980-B1 FLUORESCENT AROXYSUBSTITUTED 3,4,9,10-PERYLENETETRACARBOXYLIC ACID-DIIMIDES AND THEIR USE FOR THE CONCENTRATION OF LIGHTS IN SMALL AREAS BASF Aktiengesellschaft (DE) 1991-10-09 EP claimed
EP-1585727-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES Akzo Nobel N.V. (NL) 2005-10-19 EP disclosed
WO-2004041782-A1 INDOLES USEFUL IN THE TREATMENT OF ANDROGEN-RECEPTOR RELATED DISEASES AKZO NOBEL N.V. (NL) 2004-05-21 WO disclosed
US-5677417-A FLUORESCENT DYES MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG (DE) 1997-10-14 US disclosed
EP-0697027-B1 TETRAAROXYPERYLENE-3,4,9,10-TETRACARBOXYLIC ACID POLYIMIDES MAX PLANCK GESELLSCHAFT (DE) 1997-07-02 EP disclosed
EP-0227980-B1 FLUORESCENT AROXYSUBSTITUTED 3,4,9,10-PERYLENETETRACARBOXYLIC ACID-DIIMIDES AND THEIR USE FOR THE CONCENTRATION OF LIGHTS IN SMALL AREAS BASF Aktiengesellschaft (DE) 1991-10-09 EP disclosed
US-4845223-A FLUORESCENT PERYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
EP-0227980-A2 Fluorescent aroxysubstituted 3,4,9,10-perylenetetracarboxylic acid-diimides and their use for the concentration of lights in small areas BASF Aktiengesellschaft (DE) 1987-07-08 EP disclosed