SCHEMBL4669683

SCHEMBL4669683

O=[N+]([O-])c1ccc(-c2[c]cccc2C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.40
AKR1C2 P52895 2/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA5A P35218 1/20 0.40
ALDH1A1 P00352 3/20 0.39
APP P05067 1/20 0.38
KIF11 P52732 1/20 0.38
HSD11B1 P28845 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
RORC P51449 1/20 0.36
SCN2A Q99250 1/20 0.36
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL11287220 0.85 APP (0.38) CA1CA2CA9CA5AALDH1A1
SCHEMBL7499271 0.78 APP (0.42) CA1CA2CA9ALDH1A1APP
SCHEMBL2433532 0.77 NR1H2 (0.35) ALDH1A1KIF11
SCHEMBL3829054 0.77 KIF11 (0.45) ALDH1A1KIF11SCN2A
SCHEMBL1369135 0.77 KIF11 (0.39) ALDH1A1KIF11HSD11B1POLBLMNA
SCHEMBL6911307 0.76 AKR1C3 (0.40) AKR1C3AKR1C2ABCC8KCNJ11CA1
SCHEMBL6513958 0.76 ACHE (0.35) ALDH1A1POLBLMNAPTGS1
SCHEMBL27915252 0.74 AKR1C3 (0.52) AKR1C3AKR1C2ABCC8KCNJ11ALDH1A1
SCHEMBL11109664 0.74 MAPT (0.40) CA1CA2CA9ALDH1A1APP
SCHEMBL3556690 0.74 ALDH1A1 (0.34) ALDH1A1KIF11HSD11B1MAPK1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999160-A2 ACRYLATED HYALURONIC ACID Novozymes Biopolymer A/S (DK) 2008-12-10 EP disclosed
WO-2007106738-A2 ACRYLATED HYALURONIC ACID NOVOZYMES BIOPOLYMER A/S (DK) 2007-09-20 WO disclosed
EP-0342152-A2 Mass-dyed highly molecular organic materials containing metal complexes; metal complexes and process for their preparation CIBA-GEIGY AG (CH) 1989-11-15 EP disclosed
EP-0036387-B1 PROCESS FOR THE PREPARATION OF HYDRAZONO-ISOINDOLINES CIBA-GEIGY AG (CH) 1986-01-22 EP disclosed
US-4496727-A ORGANIC PIGMENTS; PLASTICS; LACQUERS; INKS; COATINGS; COLOR FASTNESS CIBA-GEIGY CORPORATION (US) 1985-01-29 US disclosed
EP-0036388-B1 ISOINDOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE CIBA-GEIGY AG (CH) 1984-02-15 EP disclosed
US-4414395-A REACTING AN IMINOISOINDOLE WITH HYDRAZINE CIBA-GEIGY CORPORATION (US) 1983-11-08 US disclosed
US-4385174-A FOR PIGMENTS CIBA-GEIGY CORPORATION (US) 1983-05-24 US disclosed
US-4349671-A Process for the production of metal complexes of isoindoline azines CIBA-GEIGY CORPORATION (US) 1982-09-14 US disclosed
EP-0036835-A1 Process for the preparation of metal complexes of isoindoline azines CIBA-GEIGY AG (CH) 1981-09-30 EP disclosed
EP-0036834-A1 Process for the preparation of metal complexes of isoindoline azines CIBA-GEIGY AG (CH) 1981-09-30 EP disclosed
EP-0036387-A2 Process for the preparation of hydrazono-isoindolines CIBA-GEIGY AG (CH) 1981-09-23 EP disclosed
EP-0036388-A2 Isoindoline derivatives, process for their preparation and their use CIBA-GEIGY AG (CH) 1981-09-23 EP disclosed