SCHEMBL2085076

SCHEMBL2085076

O=[N+]([O-])c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
CYP3A4 P08684 1/20 0.63
GPR35 Q9HC97 6/20 0.59
KMT2A Q03164 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
HPGD P15428 2/20 0.59
MAPK1 P28482 2/20 0.59
HIF1A Q16665 2/20 0.59
MEN1 O00255 2/20 0.59
CYP1A2 P05177 2/20 0.59
KDM4E B2RXH2 1/20 0.59
TTR P02766 1/20 0.59
MAPT P10636 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
RECQL P46063 1/20 0.59
PMP22 Q01453 1/20 0.59
HSD17B10 Q99714 1/20 0.59
LMNA P02545 1/20 0.55

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
SCHEMBL1282898 0.89 ALDH1A1 (0.68) ALDH1A1CYP3A4GPR35KMT2ATDP1
SCHEMBL430969 0.85 ALDH1A1 (0.55) ALDH1A1CYP3A4GPR35KMT2ATDP1
SCHEMBL31690265 0.85 GPR35 (0.61) ALDH1A1CYP3A4GPR35KMT2ATDP1
SCHEMBL11513166 0.85 ALDH1A1 (0.61) ALDH1A1CYP3A4GPR35KMT2ATDP1
SCHEMBL13338213 0.84 ALDH1A1 (0.56) ALDH1A1CYP3A4GPR35KMT2ATDP1
SCHEMBL11809640 0.83 ALDH1A1 (0.54) ALDH1A1CYP3A4GPR35KMT2ATDP1
SCHEMBL19327235 0.82 ERN1 (0.57) ALDH1A1CYP3A4GPR35KMT2AHPGD
SCHEMBL8329477 0.81 GPR35 (0.66) ALDH1A1CYP3A4GPR35KMT2ATDP1
SCHEMBL28375616 0.80 ALDH1A1 (0.49) ALDH1A1CYP3A4GPR35KMT2ATDP1
Trinitrophenol SCHEMBL8744 0.80 GPR35 (0.79) ALDH1A1GPR35KMT2ATDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105315213-B The method for preparing amide compound 宇部兴产株式会社 2018-04-20 CN disclosed
EP-2738161-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2018-04-11 EP disclosed
EP-2738162-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2018-01-03 EP disclosed
CN-103804295-B The method preparing amide compound 宇部兴产株式会社 2016-11-23 CN disclosed
EP-2548862-B1 METHOD FOR PRODUCING AMIDE COMPOUND UBE INDUSTRIES (JP) 2016-06-08 EP disclosed
CN-105315213-A Method for producing amide compound UBE INDUSTRIES 2016-02-10 CN disclosed
US-9242931-B2 Method for producing amide compound UBE INDUSTRIES, LTD. (JP) 2016-01-26 US disclosed
CN-102892752-B Process for producing amide compound UBE INDUSTRIES 2015-03-25 CN disclosed
US-8962826-B2 Method for producing amide compound UBE INDUSTRIES, LTD. (JP) 2015-02-24 US disclosed
US-8816069-B2 Method for producing amide compound UBE INDUSTRIES, LTD. (JP) 2014-08-26 US disclosed
EP-0341496-B1 Modified diene polymer rubbers SUMITOMO CHEMICAL CO (JP) 1993-10-20 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
US-5128416-A Automobile tire treads SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-07 US disclosed
US-5015692-A Rubbers for tires having impact strength SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-14 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-0341496-A2 Modified diene polymer rubbers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-15 EP disclosed
EP-0270071-A2 Process for preparing modified diene polymer rubbers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-08 EP disclosed
US-4061658-A 2,5-Dipicrylfurans THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1977-12-06 US disclosed
US-3969413-A Hydroformylation process using catalyst comprising cobalt and polynitroaryl compounds UNIVERSAL OIL PRODUCTS COMPANY (US) 1976-07-13 US disclosed
US-3923804-A Nitro-pyrimidines US NAVY 1975-12-02 US disclosed