SCHEMBL27979563

SCHEMBL27979563

O=[N+]([O-])c1c(-c2ccccc2)cc(F)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.51
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PTGES O14684 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PSMD14 O00487 1/20 0.40
PRKACA P17612 1/20 0.40
CASP6 P55212 1/20 0.40
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CYP3A4 P08684 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
PTGS2 P35354 4/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL29406174 1.00 HPRT1 (0.51) HPRT1ALDH1A1TDP1PTGESMEN1
SCHEMBL28871473 0.85 HPRT1 (0.48) HPRT1ALDH1A1TDP1PTGESMEN1
SCHEMBL28045710 0.81 ALDH1A1 (0.47) HPRT1ALDH1A1TDP1PTGESMEN1
SCHEMBL29136385 0.80 HPRT1 (0.49) HPRT1ALDH1A1TDP1PTGESMEN1
SCHEMBL27945722 0.77 ALDH1A1 (0.47) HPRT1ALDH1A1TDP1PTGESMEN1
SCHEMBL3870424 0.76 TDP1 (0.55) HPRT1ALDH1A1TDP1PTGESMEN1
SCHEMBL9747267 0.76 HPRT1 (0.80) HPRT1ALDH1A1TDP1MEN1KMT2A
SCHEMBL23579744 0.76 HPRT1 (0.48) HPRT1ALDH1A1TDP1MEN1KMT2A
SCHEMBL29406868 0.76 ALDH1A1 (0.39) HPRT1ALDH1A1TDP1PTGESMEN1
SCHEMBL28669856 0.76 ALDH1A1 (0.39) HPRT1ALDH1A1TDP1PTGESMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116514663-A Preparation method of 3',4',5 '-trifluoro-2-nitro-1, 1' -biphenyl 顺毅南通化工有限公司 2023-08-01 CN claimed
CN-116199582-A Preparation method of 3',4',5 '-trifluoro-2-nitro-1, 1' -biphenyl 南通泰禾化工股份有限公司 2023-06-02 CN claimed
CN-111606808-A Synthetic method of 3 ', 4', 5 '-trifluoro-2-nitro-1, 1' -biphenyl 温州大学 2020-09-01 CN claimed
CN-104529786-B The synthetic method of the fluoro- 2 '-nitrobiphenyl of 3,4,5- tri- 上海生农生化制品股份有限公司 2019-10-11 CN claimed
CN-104529786-A Method for synthesizing 3,4,5-trifluoro-2'-nitrobiphenyl SHANGHAI SHENGNONG PESTICIDE CO LTD 2015-04-22 CN claimed
CN-117430516-A Industrial method for synthesizing fluxapyroxad benzidine intermediate by one-pot method 江苏中旗科技股份有限公司 2024-01-23 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-116514663-A Preparation method of 3',4',5 '-trifluoro-2-nitro-1, 1' -biphenyl 顺毅南通化工有限公司 2023-08-01 CN disclosed
CN-116514663-A Preparation method of 3',4',5 '-trifluoro-2-nitro-1, 1' -biphenyl 顺毅南通化工有限公司 2023-08-01 CN disclosed
CN-116514663-A Preparation method of 3',4',5 '-trifluoro-2-nitro-1, 1' -biphenyl 顺毅南通化工有限公司 2023-08-01 CN disclosed
CN-116253646-A Synthesis method and application of 2-nitro-1, 1' -biphenyl compound 湖南海利化工股份有限公司 2023-06-13 CN disclosed
CN-116199582-A Preparation method of 3',4',5 '-trifluoro-2-nitro-1, 1' -biphenyl 南通泰禾化工股份有限公司 2023-06-02 CN disclosed
CN-111606808-A Synthetic method of 3 ', 4', 5 '-trifluoro-2-nitro-1, 1' -biphenyl 温州大学 2020-09-01 CN disclosed
CN-111606808-A Synthetic method of 3 ', 4', 5 '-trifluoro-2-nitro-1, 1' -biphenyl 温州大学 2020-09-01 CN disclosed
CN-104529786-B The synthetic method of the fluoro- 2 '-nitrobiphenyl of 3,4,5- tri- 上海生农生化制品股份有限公司 2019-10-11 CN disclosed
CN-104529786-B The synthetic method of the fluoro- 2 '-nitrobiphenyl of 3,4,5- tri- 上海生农生化制品股份有限公司 2019-10-11 CN disclosed
CN-110325513-A The method for preparing substituted biphenyl 巴斯夫欧洲公司 2019-10-11 CN disclosed
CN-105218378-A Prepare the method for substituted biphenyl BASF SE 2016-01-06 CN disclosed
CN-104529786-A Method for synthesizing 3,4,5-trifluoro-2'-nitrobiphenyl SHANGHAI SHENGNONG PESTICIDE CO LTD 2015-04-22 CN disclosed
CN-102348675-B Process for preparing substituted 2-nitrobiphenyls BASF SE (DE) 2014-10-01 CN disclosed