SCHEMBL5214993

SCHEMBL5214993

O=[N+]([O-])c1cc(Cl)ccc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.63
HPGD P15428 3/20 0.63
NPC1 O15118 2/20 0.63
MAPT P10636 2/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
ALDH1A1 P00352 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
PDE7A Q13946 4/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
PDE7B Q9NP56 2/20 0.55
KIF18A Q8NI77 1/20 0.54
MAPK1 P28482 4/20 0.52
TSHR P16473 1/20 0.52
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
APP P05067 1/20 0.49
VCAM1 P19320 1/20 0.49
CRHBP P24387 1/20 0.47

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
SCHEMBL17870883 0.92 RAB9A (0.59) RAB9AHPGDNPC1MAPTNFKB1
SCHEMBL26191608 0.92 RAB9A (0.59) RAB9AHPGDNPC1MAPTNFKB1
SCHEMBL2138649 0.91 MAPK1 (0.57) RAB9AHPGDNPC1MAPTNFKB1
SCHEMBL17035153 0.90 MAPT (0.58) RAB9AHPGDNPC1MAPTNFKB1
SCHEMBL17870894 0.88 RAB9A (0.55) RAB9AHPGDNPC1MAPTNFKB1
SCHEMBL9261807 0.86 ALDH1A1 (0.61) RAB9AHPGDNPC1MAPTNFKB1
SCHEMBL6125034 0.85 MAPK1 (0.63) RAB9AHPGDNPC1MAPTNFKB1
SCHEMBL13982830 0.83 MAPT (0.53) RAB9AHPGDNPC1MAPTNFKB1
SCHEMBL25941799 0.83 ALDH1A1 (0.58) RAB9AHPGDNPC1MAPTNFKB1
SCHEMBL28656833 0.82 RAB9A (0.53) RAB9AHPGDNPC1MAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110325513-B Process for preparing substituted biphenyls 巴斯夫欧洲公司 2023-11-03 CN claimed
CN-112358402-B Preparation method of 4' -chloro-2-nitrobiphenyl 湖南海利常德农药化工有限公司 2022-11-29 CN claimed
CN-109563023-B Process for preparing substituted biphenyls 巴斯夫欧洲公司 2022-10-28 CN claimed
CN-110143881-B Method for selectively reducing nitro compounds in synthetic mother liquor of compounds with different chain lengths, particularly boscalid intermediate 河北兰升生物科技有限公司 2022-04-12 CN claimed
CN-112358402-A Preparation method of 4' -chloro-2-nitrobiphenyl 湖南海利常德农药化工有限公司 2021-02-12 CN claimed
CN-106518793-B A kind of amides compound of the triazole ring containing 1,2,3- and the preparation method and application thereof 中国农业大学 2018-11-27 CN claimed
CN-105017025-B The preparation method of one kind 4 '-chloro- 2 nitro biphenyl 浙江省化工研究院有限公司 2018-06-12 CN claimed
CN-108033908-A A kind of synthetic method of the chloro- N`- of 2- (4`- chlordiphenyl -2- bases) niacinamide 西安近代化学研究所 2018-05-15 CN claimed
CN-105061296-B A kind of preparation method of 2 substituted carbazole class compound 张家港江苏科技大学产业技术研究院 2018-02-06 CN claimed
CN-106614786-A Preparation method of fungicide composition for melon and fruit cultivation 东莞市联洲知识产权运营管理有限公司 2017-05-10 CN claimed
CN-106518793-A 1,2,3-triazole-ring-containing amide compounds, and preparation method and application thereof 中国农业大学 2017-03-22 CN claimed
CN-105017025-A Preparation method of 4'-chloro-2-nitrobiphenyl ZHEJIANG RES INST CHEMICAL INDUSTRY LTD 2015-11-04 CN claimed
CN-104478797-A Preparation method of nicotinamide fungicide namely boscalid SUZHOU TOKIND CHEMICAL CO LTD 2015-04-01 CN claimed
CN-115286514-B Preparation method of 4' -chloro-2-aminobiphenyl sulfate 山东京博农化科技股份有限公司 2024-01-12 CN disclosed
CN-117321029-A Method for preparing substituted biphenyls via Suzuki coupling of aryl chlorides 巴斯夫欧洲公司 2023-12-29 CN disclosed
CN-110325513-B Process for preparing substituted biphenyls 巴斯夫欧洲公司 2023-11-03 CN disclosed
EP-0772577-B1 CHLOROALKYLATION OF AROMATIC COMPOUNDS ALBEMARLE CORP (US) 1998-12-16 EP disclosed
EP-0772577-A1 CHLOROALKYLATION OF AROMATIC COMPOUNDS ALBEMARLE CORPORATION (US) 1997-05-14 EP disclosed
WO-1996002482-A1 CHLOROALKYLATION OF AROMATIC COMPOUNDS ALBEMARLE CORPORATION (US) 1996-02-01 WO disclosed
US-5420369-A Reaction of aldehyde with haloacid and aromatic compound ALBEMARLE CORPORATION (US) 1995-05-30 US disclosed