SCHEMBL6282528

SCHEMBL6282528

O=[N+]([O-])c1[c]cc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
MAPK1 P28482 1/20 0.42
VCAM1 P19320 8/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HIF1A Q16665 1/20 0.40
TXNRD1 Q16881 1/20 0.40
TXNRD3 Q86VQ6 1/20 0.40
TXNRD2 Q9NNW7 1/20 0.40
GPR35 Q9HC97 2/20 0.39
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL2208121 0.83 HSD17B10 (0.42) TSHRMAPK1VCAM1ALDH1A1CYP3A4
SCHEMBL909526 0.82 TSHR (0.44) TSHRMAPK1VCAM1ALDH1A1CYP3A4
SCHEMBL2886629 0.81 CYP3A4 (0.39) TSHRMAPK1ALDH1A1CYP3A4TDP1
SCHEMBL6255476 0.78 ALDH1A1 (0.49) TSHRMAPK1VCAM1ALDH1A1CYP3A4
SCHEMBL9848798 0.78 TSHR (0.41) TSHRMAPK1VCAM1ALDH1A1CYP3A4
SCHEMBL28774035 0.78 ALDH1A1 (0.36) TSHRMAPK1VCAM1ALDH1A1CYP3A4
SCHEMBL1891926 0.76 TSHR (0.44) TSHRALDH1A1CYP3A4TDP1HPGD
SCHEMBL3036984 0.76 GPR35 (0.46) TSHRMAPK1ALDH1A1CYP3A4TDP1
SCHEMBL1822058 0.76 ALDH1A1 (0.46) TSHRMAPK1VCAM1ALDH1A1CYP3A4
SCHEMBL9653201 0.74 ALDH1A1 (0.36) TSHRMAPK1ALDH1A1CYP3A4TDP1

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-5723586-A ISOINDOLE OR BENZOISOTHIAZOLE DYES; WASH- AND COLORFASTNESS; DIAZOTIZATION CLARIANT FINANCE (BVI) LIMITED (VG) 1998-03-03 US claimed
US-5633355-A DISPERSE DYES SANDOZ LTD. (CH) 1997-05-27 US claimed
US-5420254-A Monoazo dyes for textiles such as cellulose or polyesters SANDOZ LTD. (CH) 1995-05-30 US claimed
US-6927193-B2 Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-08-09 US disclosed
US-6613718-B2 2,3-Dihydro-2-thioxo-pyrimidinone derivatives ISHIHARA SANGYO KAISHA, LTD. (JP) 2003-09-02 US disclosed
US-6479435-B1 OR DIARYL SULFIDES, 1-(4-CHLORO-2-FLUORO-5-(2-PYRIMIDYLOXY)PHENYL)-4-DIFLUOROMETHY L-3-METHYL-1,4-DIHYDRO-1,2,4-TRIAZOLIN-5-ONE FOR EXAMPLE ISK AMERICAS INCORPORATED 2002-11-12 US disclosed
US-6333296-B1 FOR CONTRILLING WEEDS ISK AMERICAS INCORPORATED 2001-12-25 US disclosed
US-6303543-B1 Diaryl ethers and processes for their preparation and herbicidal and desiccant compositions containing them ISHIHARA SANGYO KAISHA, LTD. (JP) 2001-10-16 US disclosed
US-6121201-A HETEROARYL SUBSTITUTED HALO-PYRAZOLE SUBSTITUTED DIARYL ETHERS OR THIOETHERS ISHIHARA SANGYO KAISHA, LTD. (JP) 2000-09-19 US disclosed
US-5723586-A ISOINDOLE OR BENZOISOTHIAZOLE DYES; WASH- AND COLORFASTNESS; DIAZOTIZATION CLARIANT FINANCE (BVI) LIMITED (VG) 1998-03-03 US disclosed
US-5633355-A DISPERSE DYES SANDOZ LTD. (CH) 1997-05-27 US disclosed
US-5420254-A Monoazo dyes for textiles such as cellulose or polyesters SANDOZ LTD. (CH) 1995-05-30 US disclosed