Sugi Predict

Sugi Predict / Compounds / SCHEMBL6575768

SCHEMBL6575768

SCHEMBL6575768

CC(Br)Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ HSPB1 P04792 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ TTR P02766 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ PDK1 Q15118 1/20 0.46
▸ TXNRD1 Q16881 1/20 0.45
▸ TXNRD3 Q86VQ6 1/20 0.45
▸ TXNRD2 Q9NNW7 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL6809251 0.87 PDK1 (0.58) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL29749825 0.87 PDK1 (0.58) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL9501627 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL9638881 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL28343073 0.83 HTT (0.57) ALDH1A1MEN1KMT2AMAPTTTR
SCHEMBL11583868 0.81 XDH (0.49) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL6929587 0.81 MEN1 (0.45) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL7824974 0.80 TTR (0.55) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL3586660 0.80 TTR (0.55) ALDH1A1MEN1KMT2AHSPB1MAPT
SCHEMBL27979838 0.79 TTR (0.45) ALDH1A1MEN1KMT2AHSPB1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104130139-B The preparation method of choline derivative bromination triethyl-2-(2,4-dinitrophenoxy) ethyl ammonium SHAOXING UNIVERSITY (CN) 2016-02-17 — — CN claimed
CN-104130139-A Preparation method of choline derivative, namely, bromotriethyl-2-(2,4-dinitrophenoxyl)ethylammonium UNIV SHAOXING 2014-11-05 — — CN claimed
CN-107533260-B Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element 日产化学工业株式会社 2020-12-25 — — CN disclosed
CN-104130139-B The preparation method of choline derivative bromination triethyl-2-(2,4-dinitrophenoxy) ethyl ammonium SHAOXING UNIVERSITY (CN) 2016-02-17 — — CN disclosed
CN-104130139-B The preparation method of choline derivative bromination triethyl-2-(2,4-dinitrophenoxy) ethyl ammonium SHAOXING UNIVERSITY (CN) 2016-02-17 — — CN disclosed
CN-104130139-A Preparation method of choline derivative, namely, bromotriethyl-2-(2,4-dinitrophenoxyl)ethylammonium UNIV SHAOXING 2014-11-05 — — CN disclosed
EP-0775689-B9 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2004-09-15 — — EP disclosed
EP-0775689-B1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RES LABS (KR) 2003-09-03 — — EP disclosed
US-6057358-A POTASSIUM CHANNEL BLOCKING ANTIARRHYTHMIC DRUGS WITH LESS SIDE EFFECTS C&C RESEARCH LABS. (KR) 2000-05-02 — — US disclosed
EP-0775689-A1 NOVEL AMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF AS ANTIARRHYTHMIC C & C RESEARCH LABS. (KR) 1997-05-28 — — EP disclosed