SCHEMBL5203798

SCHEMBL5203798

Cc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
ALDH1A1 P00352 5/20 0.47
TSHR P16473 4/20 0.47
CYP3A4 P08684 3/20 0.47
RECQL P46063 1/20 0.47
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
G6PD P11413 1/20 0.40
PKM P14618 1/20 0.40

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
Pyridazine SCHEMBL6680189 0.89 CYP1A2 (0.46) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL6897084 0.87 CYP1A2 (0.45) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL1828689 0.86 TSHR (0.48) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL5202894 0.85 CYP1A2 (0.52) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL6671674 0.85 CYP1A2 (0.52) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL9793418 0.84 GRIN2D (0.46) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL19230478 0.84 CYP1A2 (0.60) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL8773007 0.82 ALDH1A1 (0.46) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL304097 0.82 CYP1A2 (0.57) CYP1A2ALDH1A1TSHRCYP3A4RECQL
SCHEMBL2581016 0.82 CYP1A2 (0.62) CYP1A2ALDH1A1TSHRCYP3A4RECQL

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108184554-A A kind of turf weed preventing control method 广东碧然美景观艺术有限公司 2018-06-22 CN claimed
CN-117049967-A Preparation method and active application of 2, 6-dinitro-3, 4-dimethylphenol derivative 西华大学 2023-11-14 CN disclosed
CN-108184554-A A kind of turf weed preventing control method 广东碧然美景观艺术有限公司 2018-06-22 CN disclosed
US-8735324-B2 Esteramide solvents/coalescing agents in phytosanitary, cleaning, degreasing, stripping, lubricating, coating, and pigment/ink compositions RHODIA OPERATIONS (FR) 2014-05-27 US disclosed
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
EP-0889026-B1 Alpha-phenoxy alkanols, processes for their preparation and their uses CFPI NUFARM (FR) 2001-11-14 EP disclosed
US-6090984-A PREPARATION FROM 2,6-DINITRO-3,4-DIMETHYLPHENOL ETHYLENE OXIDE, PROPYLENE OXIDE OR 2,3-EPOXYBUTANE; REACTING AN ALPHA-PHENOXYALKANOL WITH 3-AMINOPENTANE TO FORM PENDIMETHALIN. CFPI AGRO (FR) 2000-07-18 US disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
US-4166908-A SELECTIVE PREEMERGENT ACTIVITY AMERICAN CYANAMID COMPANY (US) 1979-09-04 US disclosed
US-4165231-A 2,6-Dinitroaniline herbicides AMERICAN CYANAMID COMPANY (US) 1979-08-21 US disclosed
US-4124639-A N-alkoxyalkyl-2,6-dinitroaniline herbicides AMERICA CYANAMID COMPANY (US) 1978-11-07 US disclosed
US-4123250-A Inhibiting plant bud growth with substituted 2,6-di-nitroanilines AMERICAN CYANAMID COMPANY (US) 1978-10-31 US disclosed
US-4119669-A PREEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1978-10-10 US disclosed
US-4119669-A PREEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1978-10-10 US disclosed
US-4119669-A PREEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1978-10-10 US disclosed
US-4101582-A 2,6-Dinitroaniline herbicides AMERICAN CYANAMID COMPANY (US) 1978-07-18 US disclosed
US-4066441-A PREEMERGENCE HERBICIDAL METHODS AND COMPOSITIONS USING 2,6-DINITROXYLIDINE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1978-01-03 US disclosed
US-4025538-A 2,6-Dinitroaniline herbicides AMERICAN CYANAMID COMPANY (US) 1977-05-24 US disclosed