SCHEMBL7594638

SCHEMBL7594638

O=[N+]([O-])Nc1c([N+](=O)[O-])cccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.54
GPR35 Q9HC97 2/20 0.52
ALDH1A1 P00352 6/20 0.47
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
S100A4 P26447 2/20 0.45
HSD17B10 Q99714 1/20 0.45
CXCR2 P25025 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP7 P55210 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE10A Q9Y233 1/20 0.41
PTPRC P08575 1/20 0.41
ERN1 O75460 1/20 0.41

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
SCHEMBL27829945 0.86 SMN1; SMN2 (0.46) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL28266936 0.77 TDP1 (0.54) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL2524312 0.77 TDP1 (0.58) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL6549393 0.77 TDP1 (0.54) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL28195429 0.77 TDP1 (0.54) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL225443 0.76 ALDH1A1 (0.48) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL950729 0.76 MAPK1 (0.60) TDP1ALDH1A1SMN1; SMN2HSD17B10MAPK1
SCHEMBL7568232 0.75 GPR35 (0.53) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL5780903 0.74 TDP1 (0.50) TDP1GPR35ALDH1A1TSHRSMN1; SMN2
SCHEMBL11884732 0.74 TDP1 (0.50) TDP1GPR35ALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5981795-A PURIFYING DINITROANILINE HAVING HERBICIDAL ACTIVITY BY N-DENITRATION OF THE N-NITRO-DINITROANILINE IMPURITIES CONTAINED THEREIN IN THE PRESENCE OF A BASE SELECTED FROM ALKALI-METAL HYDROXIDES, ALKALI-METAL CARBONATES FINCHIMICA S.P.A. (IT) 1999-11-09 US claimed
EP-0893431-B1 A method for the purification of dinitroanilines FINCHIMICA SRL (IT) 2002-09-18 EP disclosed
US-5981795-A PURIFYING DINITROANILINE HAVING HERBICIDAL ACTIVITY BY N-DENITRATION OF THE N-NITRO-DINITROANILINE IMPURITIES CONTAINED THEREIN IN THE PRESENCE OF A BASE SELECTED FROM ALKALI-METAL HYDROXIDES, ALKALI-METAL CARBONATES FINCHIMICA S.P.A. (IT) 1999-11-09 US disclosed
US-5959149-A DENITROSATION USING ACID, AND DENITRATION IN A NEUTRAL OR BASIC ENVIRONMENT IN THE PRESENCE OF A PHASE-TRANSFER CATALYST FINCHIMICA S.P.A. (IT) 1999-09-28 US disclosed
EP-0893431-A2 A method for the purification of dinitroanilines FINCHIMICA S.p.A. (IT) 1999-01-27 EP disclosed
EP-0049384-B1 N-DENITRATION OF N,2,6-TRINITROANILINES WITH PHASE TRANSFER CATALYSTS AMERICAN CYANAMID COMPANY (US) 1985-03-20 EP disclosed
EP-0049384-B1 N-DENITRATION OF N,2,6-TRINITROANILINES WITH PHASE TRANSFER CATALYSTS AMERICAN CYANAMID COMPANY (US) 1985-03-20 EP disclosed
US-4391992-A N-Denitration of N,2,6-trinitroanilines with phase transfer catalysts AMERICAN CYANAMID COMPANY (US) 1983-07-05 US disclosed
US-4391992-A N-Denitration of N,2,6-trinitroanilines with phase transfer catalysts AMERICAN CYANAMID COMPANY (US) 1983-07-05 US disclosed
US-4391992-A N-Denitration of N,2,6-trinitroanilines with phase transfer catalysts AMERICAN CYANAMID COMPANY (US) 1983-07-05 US disclosed
EP-0024503-B1 N-DENITRATION OF N,2,6-TRINITROANILINES WITH PHASE TRANSFER CATALYSTS AMERICAN CYANAMID COMPANY (US) 1983-06-15 EP disclosed
EP-0024503-B1 N-DENITRATION OF N,2,6-TRINITROANILINES WITH PHASE TRANSFER CATALYSTS AMERICAN CYANAMID COMPANY (US) 1983-06-15 EP disclosed
EP-0049384-A1 N-denitration of N,2,6-trinitroanilines with phase transfer catalysts AMERICAN CYANAMID COMPANY (US) 1982-04-14 EP disclosed
EP-0049384-A1 N-denitration of N,2,6-trinitroanilines with phase transfer catalysts AMERICAN CYANAMID COMPANY (US) 1982-04-14 EP disclosed
EP-0049384-A1 N-denitration of N,2,6-trinitroanilines with phase transfer catalysts AMERICAN CYANAMID COMPANY (US) 1982-04-14 EP disclosed
EP-0024503-A1 N-denitration of N,2,6-trinitroanilines with phase transfer catalysts AMERICAN CYANAMID COMPANY (US) 1981-03-11 EP disclosed
EP-0024503-A1 N-denitration of N,2,6-trinitroanilines with phase transfer catalysts AMERICAN CYANAMID COMPANY (US) 1981-03-11 EP disclosed
EP-0024503-A1 N-denitration of N,2,6-trinitroanilines with phase transfer catalysts AMERICAN CYANAMID COMPANY (US) 1981-03-11 EP disclosed