SCHEMBL29939725

SCHEMBL29939725

O=[N+]([O-])c1cc(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
GPR35 Q9HC97 2/20 0.57
ALDH1A1 P00352 5/20 0.54
TSHR P16473 4/20 0.54
VCAM1 P19320 5/20 0.50
CYP3A4 P08684 3/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HIF1A Q16665 1/20 0.50
TXNRD1 Q16881 1/20 0.50
TXNRD3 Q86VQ6 1/20 0.50
TXNRD2 Q9NNW7 1/20 0.50
MAPK1 P28482 1/20 0.48
PDE7A Q13946 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
SCHEMBL3650611 1.00 TDP1 (0.61) TDP1GPR35ALDH1A1TSHRVCAM1
SCHEMBL8654568 0.87 GPR35 (0.71) TDP1GPR35ALDH1A1TSHRVCAM1
SCHEMBL5579130 0.82 TSHR (0.75) TDP1GPR35ALDH1A1TSHRVCAM1
SCHEMBL9194645 0.82 TSHR (0.61) TDP1GPR35ALDH1A1TSHRVCAM1
SCHEMBL28734210 0.82 ALDH1A1 (0.56) TDP1GPR35ALDH1A1TSHRVCAM1
SCHEMBL31053019 0.80 GPR35 (0.74) TDP1GPR35ALDH1A1TSHRCYP3A4
SCHEMBL1192005 0.80 ALDH1A1 (0.50) TDP1GPR35ALDH1A1TSHRVCAM1
SCHEMBL8653908 0.80 ALDH1A1 (0.50) TDP1GPR35ALDH1A1TSHRVCAM1
SCHEMBL28904818 0.80 TDP1 (0.50) TDP1GPR35ALDH1A1TSHRVCAM1
SCHEMBL9226136 0.80 GPR35 (0.74) TDP1GPR35ALDH1A1TSHRVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955296-A Method for preparing 2, 4-difluoroaniline and 2,3, 4-trifluoroaniline by using 3, 4-dichloronitrobenzene as raw material 山东国邦药业有限公司 2024-11-15 CN claimed
CN-118955296-A Method for preparing 2, 4-difluoroaniline and 2,3, 4-trifluoroaniline by using 3, 4-dichloronitrobenzene as raw material 山东国邦药业有限公司 2024-11-15 CN disclosed
CN-118955296-A Method for preparing 2, 4-difluoroaniline and 2,3, 4-trifluoroaniline by using 3, 4-dichloronitrobenzene as raw material 山东国邦药业有限公司 2024-11-15 CN disclosed
CN-117202924-A Therapeutic regimens and methods for lowering blood glucose and/or body weight using GLP-1R and GCGR balance agonists 斯皮特弗尔制药有限责任公司 2023-12-08 CN disclosed
EP-3802754-B1 ASSOCIATIVE AND EXCHANGEABLE OLIGOMERS, AND COMPOSITION COMPRISING SAME TOTALENERGIES ONETECH (FR) 2023-07-05 EP disclosed
EP-3802696-B1 ASSOCIATIVE AND EXCHANGEABLE OLIGOMERS, COMPOSITION COMPRISING THEM TOTALENERGIES ONETECH (FR) 2023-07-05 EP disclosed
EP-3802755-B1 ASSOCIATIVE AND EXCHANGEABLE OLIGOMERS, AND COMPOSITION CONTAINING SAME TOTALENERGIES ONETECH (FR) 2023-07-05 EP disclosed
CN-110642720-B Preparation method of 2, 4-difluoro-3, 5-dichloronitrobenzene 浙江吉泰新材料股份有限公司 2022-09-27 CN disclosed