SCHEMBL6366409

SCHEMBL6366409

O=[N+]([O-])c1ccccc1-c1ccno1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 5/20 0.46
KMT2A Q03164 5/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
ABCB1 P08183 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
PDE4B Q07343 2/20 0.45
GAA P10253 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MGAM O43451 3/20 0.43
SI P14410 3/20 0.43
MGAM2 Q2M2H8 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 4/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9453840 0.85 TDP1 (0.56) ALDH1A1TDP1LMNAMAPTKMT2A
SCHEMBL3400235 0.76 ALDH1A1 (0.59) ALDH1A1TDP1LMNAL3MBTL1MAPT
SCHEMBL8492249 0.75 GAA (0.46) ALDH1A1TDP1LMNAMAPTKMT2A
SCHEMBL6016410 0.75 ALDH1A1 (0.49) ALDH1A1TDP1LMNAL3MBTL1MAPT
SCHEMBL1287837 0.74 ALDH1A1 (0.74) ALDH1A1TDP1L3MBTL1KMT2ARAB9A
SCHEMBL30535903 0.74 ALDH1A1 (0.74) ALDH1A1TDP1L3MBTL1KMT2ARAB9A
SCHEMBL29337140 0.72 ALDH1A1 (0.71) ALDH1A1TDP1L3MBTL1KMT2AGAA
SCHEMBL30987815 0.72 ALDH1A1 (0.71) ALDH1A1TDP1L3MBTL1KMT2AGAA
Ammonia Solution, Strong SCHEMBL9060371 0.72 ALDH1A1 (0.71) ALDH1A1TDP1L3MBTL1KMT2AGAA
SCHEMBL5557695 0.71 ALDH1A1 (0.53) ALDH1A1TDP1LMNAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 US disclosed
EP-1175406-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2002-01-30 EP disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 WO disclosed
US-4810282-A 3-ORTHO-(ISOXAZOLYL,ISOTHIAZOLYL, PYRAZOLYL,THIADIAZOLYL, OXADIAZOLYL AND TRIAZOLYL BENZENESULFONUREYLENE-1,2,4-TRIAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US disclosed
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP disclosed
US-4695311-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-22 US disclosed
US-4606755-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-19 US disclosed
US-4514214-A Herbicidal sulfamates E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-30 US disclosed
US-4511392-A N--/PYRIMIDIN-2-YLAMINOCARBENYL/-HETERO-SUBSTITUETED BENZENSESULFO E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 US disclosed
US-4475944-A PLANT GROWTH REGULATORS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-10-09 US disclosed
EP-0096593-A2 Herbicidal sulfamates E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-12-21 EP disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP disclosed