SCHEMBL1421920

SCHEMBL1421920

CC(C)(C)OC(=O)c1ccn(C(=N)N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.47
HPGDS O60760 1/20 0.34
GABRG2 P18507 10/20 0.34
GABRB3 P28472 10/20 0.34
GABRA5 P31644 9/20 0.34
GABRA1 P14867 9/20 0.34
GABRA2 P47869 9/20 0.34
GABRA3 P34903 8/20 0.34
GABRA6 Q16445 7/20 0.34
GABRA4 P48169 5/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRE P78334 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL28074789 0.88 SCN4A (0.38) HPGDSGABRG2GABRB3GABRA5GABRA1
SCHEMBL7421479 0.83 GABRG2 (0.40) HPGDSGABRG2GABRB3GABRA5GABRA1
SCHEMBL22190961 0.83 HPGDS (0.39) HPGDSGABRG2GABRB3GABRA5GABRA1
SCHEMBL22263387 0.81 GABRG2 (0.36) HPGDSGABRG2GABRB3GABRA5GABRA1
SCHEMBL6586676 0.80 PTGDR2 (0.34) HPGDSGABRG2GABRB3GABRA5GABRA1
SCHEMBL28677416 0.80 NOS1 (0.51) NOS1GABRG2GABRB3GABRA5GABRA1
SCHEMBL1414894 0.79 NOS1 (0.51) NOS1ALDH1A1TSHRKDM4EGAA
SCHEMBL28155365 0.79 BCHE (0.37) NOS1MAPTHPGDKMT2A
SCHEMBL27610277 0.77 TSHR (0.49) HPGDSGABRG2GABRB3GABRA5GABRA1
SCHEMBL23015484 0.75 ALDH1A1 (0.38) HPGDSGABRG2GABRB3GABRA5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113292499-A New preparation method of beta-lactamase inhibitor and intermediate thereof 齐鲁制药有限公司 2021-08-24 CN claimed
CN-113292499-B New preparation method of beta-lactamase inhibitor and intermediate thereof 齐鲁制药有限公司 2024-05-28 CN disclosed
CN-114907301-B Ranitivir octanoate intermediate and preparation method thereof 上海医药工业研究院 2024-05-28 CN disclosed
CN-117396465-A Novel oxazole derivative for preventing or treating allergic diseases and pharmaceutical composition containing the same 阿斯克里斯有限公司 2024-01-12 CN disclosed
CN-111116567-B Zanamivir and ranamivir intermediates and synthesis method thereof 中国科学院上海有机化学研究所 2023-10-10 CN disclosed
CN-111116533-B Zanamivir and ranamivir intermediate and synthesis method thereof 中国科学院上海有机化学研究所 2022-11-22 CN disclosed
CN-114907301-A Ranitivir caprylate intermediate and preparation method thereof 上海医药工业研究院 2022-08-16 CN disclosed
CN-113801082-A Preparation method of lanimivir octanoate 博瑞生物医药(苏州)股份有限公司 2021-12-17 CN disclosed
CN-113801138-A Method for preparing lanimivir octanoate intermediate by one-pot method 博瑞生物医药(苏州)股份有限公司 2021-12-17 CN disclosed
CN-111018901-B Zanamivir and ranamivir intermediate and synthesis method thereof 中国科学院上海有机化学研究所 2021-09-03 CN disclosed
CN-1656086-A Benzofuran derivative TANABE SEIYAKU CO (JP) 2005-08-17 CN disclosed
CN-1656107-A Plasma carboxypeptidase B inhibitors SCHERING AG (DE) 2005-08-17 CN disclosed
WO-2004087138-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2004-10-14 WO disclosed
WO-2004067521-A1 THIAZOLE DERIVATIVES AND THEIR USE AS VAP-1 INHIBITORS ASTELLAS PHARMA INC. (JP) 2004-08-12 WO disclosed
EP-1442027-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2004-08-04 EP disclosed
CN-1439006-A Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECH INC (US) 2003-08-27 CN disclosed
WO-2003031419-A1 SUBSTITUTED DIPHENYLOXAZOLES, THE SYNTHESIS THEREOF, AND THE USE THEREOF AS FLUORESCENCE PROBES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-17 WO disclosed
CN-1337961-A Heteroaryl amidines, methyl amidiues and guanidines as protease inhibitors DIMENSIONAL PHARM INC (US) 2002-02-27 CN disclosed
CN-1303365-A Benzamide and sulfonamide substituted aminoguanidines and alkoxyguanidines as protease inhibitors DIMENSIONAL PHARM INC (US) 2001-07-11 CN disclosed
CN-1237961-A Aminoguanidines and alkoxyguanidines as protease inhibitors DIMENSIONAL PHARM INC (US) 1999-12-08 CN disclosed