SCHEMBL588692

SCHEMBL588692

N#Cc1ccccc1-c1ccccc1CBr

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
TSHR P16473 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CYP19A1 P11511 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGES O14684 1/20 0.36
USP8 P40818 1/20 0.36
USP7 Q93009 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
PTPN5 P54829 1/20 0.35
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3644296 0.85 ESR2 (0.40) ESR2TSHRCYP1A2CYP1A1CYP1B1
SCHEMBL9313614 0.85 ALDH1A1 (0.40) ESR2TSHRCYP1A2CYP1A1CYP1B1
SCHEMBL27532550 0.85 ESR2 (0.42) ESR2TSHRCYP1A2CYP1A1CYP1B1
SCHEMBL2575065 0.84 GABRA1 (0.39) ESR2TSHRCYP19A1GABRG2GABRB3
SCHEMBL899 0.83 CYP19A1 (0.46) TSHRCYP1A2CYP1A1CYP1B1CYP19A1
SCHEMBL29513232 0.83 CYP19A1 (0.46) TSHRCYP1A2CYP1A1CYP1B1CYP19A1
SCHEMBL8932055 0.81 CYP19A1 (0.44) TSHRCYP1A2CYP1A1CYP1B1CYP19A1
SCHEMBL1841101 0.81 SMN1; SMN2 (0.47) TSHRCYP1A2CYP1A1CYP1B1CYP19A1
SCHEMBL7667378 0.80 ESR2 (0.53) ESR2TSHRCYP19A1ALDH1A1MAPT
SCHEMBL3181745 0.80 DPP4 (0.52) ESR2TSHRCYP19A1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271246-A Method for continuously preparing 2-butyl-1, 3-diazaspiro [4.4] nonane-1-en-4-one 浙江华海药业股份有限公司 2024-07-02 CN claimed
CN-115215813-A Method for controlling valsartan impurity 江苏新瑞药业有限公司 2022-10-21 CN claimed
CN-108732279-B Method for analyzing and determining genotoxic impurities in valsartan by using HPLC (high performance liquid chromatography) method 齐鲁制药有限公司 2022-07-08 CN claimed
CN-108732279-A A method of it is analyzed using HPLC methods and measures genotoxicity impurity in Valsartan 齐鲁制药有限公司 2018-11-02 CN claimed
CN-118271246-A Method for continuously preparing 2-butyl-1, 3-diazaspiro [4.4] nonane-1-en-4-one 浙江华海药业股份有限公司 2024-07-02 CN disclosed
CN-115215813-A Method for controlling valsartan impurity 江苏新瑞药业有限公司 2022-10-21 CN disclosed
CN-110156761-B Compound containing coumarin-biphenyl skeleton, preparation method and application thereof 郑州大学 2022-08-09 CN disclosed
CN-108732279-B Method for analyzing and determining genotoxic impurities in valsartan by using HPLC (high performance liquid chromatography) method 齐鲁制药有限公司 2022-07-08 CN disclosed
CN-108732279-B Method for analyzing and determining genotoxic impurities in valsartan by using HPLC (high performance liquid chromatography) method 齐鲁制药有限公司 2022-07-08 CN disclosed
CN-109195602-B Symmetrical or semi-symmetrical compounds useful as immunomodulators 上海齐鲁制药研究中心有限公司 2022-01-07 CN disclosed
CN-106061938-B The manufacturing method of 2- (halogenated methyl) -3- methyl nitrobenzene 住友化学株式会社 2019-04-12 CN disclosed
CN-108732279-A A method of it is analyzed using HPLC methods and measures genotoxicity impurity in Valsartan 齐鲁制药有限公司 2018-11-02 CN disclosed
US-5478840-A Imidazo(4,5-b)pyridine derivatives used as antagonism to angiotensin ii receptors KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 US disclosed
US-5378701-A Angiotensin II inhibitors; hypotensive agents; congestive heart and kidney failure; glaucoma KYOWA HAKKO KOGYO (JP) 1995-01-03 US disclosed
US-5369114-A Angiotensin II antagonist IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-11-29 US disclosed
CN-1025331-C Biphenylmethane derivative and pharmacological use EISAI CO LTD (JP) 1994-07-06 CN disclosed
EP-0549352-A2 Tricyclic compounds as angiotensin II antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-06-30 EP disclosed
EP-0456442-A1 Quinoline derivatives, process for their preparation and their use as medicaments ZENECA LIMITED (GB) 1991-11-13 EP disclosed
CN-1055927-A Benzimidazole derivatives, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1991-11-06 CN disclosed
CN-1050539-A Diphenyl methane derivative and medicinal EISAI CO LTD (JP) 1991-04-10 CN disclosed