SCHEMBL3240210

SCHEMBL3240210

O=[N+]([O-])c1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 2/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 4/20 0.50
GPR35 Q9HC97 2/20 0.50
VCAM1 P19320 5/20 0.48
CYP3A4 P08684 2/20 0.48
PDE7A Q13946 2/20 0.47
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HIF1A Q16665 1/20 0.46
TXNRD1 Q16881 1/20 0.46
TXNRD3 Q86VQ6 1/20 0.46
TXNRD2 Q9NNW7 1/20 0.46

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
SCHEMBL29783588 1.00 TSHR (0.56) TSHRMAPK1TDP1HSD17B10ALDH1A1
SCHEMBL30953145 0.89 TSHR (0.58) TSHRMAPK1TDP1HSD17B10ALDH1A1
SCHEMBL1626066 0.89 TSHR (0.58) TSHRMAPK1TDP1HSD17B10ALDH1A1
SCHEMBL9180125 0.88 TSHR (0.62) TSHRMAPK1TDP1ALDH1A1GPR35
SCHEMBL14578462 0.83 TDP1 (0.52) TSHRMAPK1TDP1HSD17B10ALDH1A1
SCHEMBL305109 0.83 ALDH1A1 (0.55) TSHRMAPK1TDP1HSD17B10ALDH1A1
SCHEMBL3897956 0.83 PDE7A (0.53) TSHRMAPK1TDP1HSD17B10ALDH1A1
SCHEMBL10400092 0.83 TSHR (0.47) TSHRMAPK1TDP1HSD17B10ALDH1A1
SCHEMBL11619612 0.83 TSHR (0.47) TSHRMAPK1TDP1HSD17B10ALDH1A1
SCHEMBL3175084 0.83 TSHR (0.48) TSHRMAPK1TDP1HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773207-A Method and catalyst for selective nitro reduction hydrogenation reaction by using micro packed bed 南京药石科技股份有限公司 2022-07-22 CN claimed
EP-1016405-A2 Arylating medicaments Radopath Pharmaceuticals International Limited (GB) 2000-07-05 EP claimed
CN-1124012-A Arylating medicaments RADOPATH LTD (GB) 1996-06-05 CN claimed
EP-0700287-A1 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1996-03-13 EP claimed
WO-1994027584-A2 ARYLATING MEDICAMENTS RADOPATH LIMITED (GB) 1994-12-08 WO claimed
CN-114773207-A Method and catalyst for selective nitro reduction hydrogenation reaction by using micro packed bed 南京药石科技股份有限公司 2022-07-22 CN disclosed
CN-111116372-B 3,4 dichloronitrobenzene full-continuous flow synthesis process under action of catalyst 浙江本立科技股份有限公司 2021-05-11 CN disclosed
CN-211921383-U 3, 4-dichloronitrobenzene integrated full-continuous flow reaction system 浙江本立科技股份有限公司 2020-11-13 CN disclosed
CN-111116372-A 3,4 dichloronitrobenzene full-continuous flow synthesis process under action of catalyst 浙江本立科技股份有限公司 2020-05-08 CN disclosed
EP-1411993-B1 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RES DEV CO (IL) 2010-05-05 EP disclosed
EP-1594504-A4 NOVEL IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND USES THEREOF FOR THERAPY AND DIAGNOSIS T K SIGNAL LTD (IL) 2008-12-17 EP disclosed
EP-1411993-A4 RADIOLABELED IRREVERSIBLE INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE AND THEIR USE IN RADIOIMAGING AND RADIOTHERAPY YISSUM RES DEV CO (IL) 2007-08-01 EP disclosed
US-5219938-A Reacting a living polymer of a conjugated diene with a tin or silicon compound and with a nitro compound, a phosphoryl chloride, aminosilane, an acrylamide or an aminovinylsilane; auto tires; impact strength; cold resistance; storage SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-15 US disclosed
EP-0325892-B1 PROCESS FOR THE PREPARATION OF HALOGENATED PRIMARY AMINES CIBA-GEIGY AG (CH) 1993-02-03 EP disclosed
US-5128416-A Automobile tire treads SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-07 US disclosed
EP-0473552-A1 Process for the preparation of halogenated aromatic primary amines CIBA-GEIGY AG (CH) 1992-03-04 EP disclosed
US-5015692-A Rubbers for tires having impact strength SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-14 US disclosed
US-4960936-A Process for the preparation of halogenated aromatic primary amines CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
US-4957976-A IMPROVED PROPERTIES FOR AUTOMOBILE TIRES, MODIFIED WITH PHOSPHORYL CHLORIDE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1990-09-18 US disclosed
EP-0325892-A2 Process for the preparation of halogenated primary amines CIBA-GEIGY AG (CH) 1989-08-02 EP disclosed