SCHEMBL8411786

SCHEMBL8411786

CCc1c(Cl)cc([N+](=O)[O-])c(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
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
VCAM1 P19320 6/20 0.42
ALDH1A1 P00352 5/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HIF1A Q16665 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
MAPK1 P28482 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
SCHEMBL30471243 1.00 GPR35 (0.47) GPR35TDP1GRIN2DGRIN3BGRIN1
SCHEMBL8410224 0.86 GRIN2D (0.49) GPR35TDP1GRIN2DGRIN3BGRIN1
SCHEMBL1626726 0.85 ALDH1A1 (0.44) GPR35TDP1GRIN2DGRIN3BGRIN1
SCHEMBL10597548 0.85 TDP1 (0.46) GPR35TDP1GRIN2DGRIN3BGRIN1
SCHEMBL8082966 0.84 GPR35 (0.56) GPR35TDP1GRIN2DGRIN3BGRIN1
SCHEMBL4592068 0.79 POLB (0.44) TDP1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4922982 0.78 TDP1 (0.60) TDP1VCAM1ALDH1A1TSHRMAPK1
SCHEMBL8932007 0.77 GPR35 (0.43) GPR35TDP1VCAM1ALDH1A1TSHR
SCHEMBL29939725 0.76 TDP1 (0.61) GPR35TDP1VCAM1ALDH1A1TSHR
SCHEMBL3650611 0.76 TDP1 (0.61) GPR35TDP1VCAM1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283597-A Preparation method of color photographic paper raw material 2,3, 5-trichloro-4-ethylnitrobenzene 沈阳感光化工研究院有限公司 2023-06-23 CN claimed
CN-116283597-A Preparation method of color photographic paper raw material 2,3, 5-trichloro-4-ethylnitrobenzene 沈阳感光化工研究院有限公司 2023-06-23 CN disclosed
CN-116283597-A Preparation method of color photographic paper raw material 2,3, 5-trichloro-4-ethylnitrobenzene 沈阳感光化工研究院有限公司 2023-06-23 CN disclosed
CN-116283597-A Preparation method of color photographic paper raw material 2,3, 5-trichloro-4-ethylnitrobenzene 沈阳感光化工研究院有限公司 2023-06-23 CN disclosed
EP-0718277-B1 Method for producing 5-substituted-2-acylaminophenols, and 5-alkyl-2-acylaminophenol compound and N-acyl-N-(4-alkyl-phenyl)hydroxylamine compound FUJI PHOTO FILM CO LTD (JP) 1999-07-21 EP disclosed
EP-0718277-A1 Method for producing 5-substituted-2-acylaminophenols, and 5-alkyl-2-acylaminophenol compound and N-acyl-N-(4-alkyl-phenyl)hydroxylamine compound FUJI PHOTO FILM CO., LTD. (JP) 1996-06-26 EP disclosed
US-5441987-A Antifungal agent MERCK & CO., INC. (US) 1995-08-15 US disclosed
EP-0473464-B1 Process for preparing 2-4-dichloro-3-alkyl-6-nitrophenols TAOKA CHEMICAL CO LTD (JP) 1995-06-14 EP disclosed
US-5304485-A Fungicide from Sporormiella culture MERCK & CO., INC. (US) 1994-04-19 US disclosed
US-5276055-A Antimycotic agents MERCK & CO., INC. (US) 1994-01-04 US disclosed
US-5136109-A PROCESS FOR PREPARING 2,4-DICHLORO-3-ALKYL-6-NITROPHENOLS TAOKA CHEMICAL COMPANY, LTD. (JP) 1992-08-04 US disclosed
EP-0473464-A1 Process for preparing 2-4-dichloro-3-alkyl-6-nitrophenols TAOKA CHEMICAL CO., LTD (JP) 1992-03-04 EP disclosed
US-5012015-A Nitrading a trichlorobenzene with mixed acid, hydrolysis DAIEI CHEMICAL CO., LTD. (JP) 1991-04-30 US disclosed
EP-0175151-B1 2,4-DICHLORO-3-ALKYL-6-NITROPHENOLS AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1989-01-18 EP disclosed
US-4670608-A CATALYTIC CHLORINATION OF 1-ALKYL-4-NITROBENZENE BAYER AKTIENGESELLSCHAFT (DE) 1987-06-02 US disclosed
EP-0175151-A1 2,4-Dichloro-3-alkyl-6-nitrophenols and process for their preparation BAYER AG (DE) 1986-03-26 EP disclosed