SCHEMBL28074789

SCHEMBL28074789

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 4/20 0.38
HPGDS O60760 1/20 0.36
SCN9A Q15858 2/20 0.35
GABRG2 P18507 7/20 0.35
GABRB3 P28472 7/20 0.35
GABRA5 P31644 6/20 0.35
GABRA1 P14867 6/20 0.35
GABRA2 P47869 6/20 0.35
GABRA3 P34903 5/20 0.35
GABRA6 Q16445 4/20 0.35
GABRA4 P48169 3/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRE P78334 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL1421920 0.88 NOS1 (0.47) HPGDSGABRG2GABRB3GABRA5GABRA1
SCHEMBL22190961 0.85 HPGDS (0.39) HPGDSGABRG2GABRB3GABRA5GABRA1
SCHEMBL7421479 0.85 GABRG2 (0.40) HPGDSGABRG2GABRB3GABRA5GABRA1
SCHEMBL22263387 0.81 GABRG2 (0.36) HPGDSGABRG2GABRB3GABRA5GABRA1
SCHEMBL27610277 0.80 TSHR (0.49) HPGDSGABRG2GABRB3GABRA5GABRA1
SCHEMBL23015484 0.78 ALDH1A1 (0.38) HPGDSGABRG2GABRB3GABRA5ALDH1A1
SCHEMBL6586676 0.77 PTGDR2 (0.34) HPGDSGABRG2GABRB3GABRA5GABRA1
SCHEMBL28761548 0.75 HPGDS (0.39) HPGDSGABRG2GABRB3GABRA5GABRA1
SCHEMBL28155365 0.75 BCHE (0.37) MAPTHPGD
SCHEMBL13141143 0.75 ALDH1A1 (0.43) HPGDSGABRG2GABRB3GABRA5GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-111116567-A Zanamivir and ranamivir intermediate and synthesis method thereof 中国科学院上海有机化学研究所 2020-05-08 CN disclosed
CN-111116533-A Zanamivir and ranamivir intermediate and synthesis method thereof 中国科学院上海有机化学研究所 2020-05-08 CN disclosed
CN-111018901-A Zanamivir and ranamivir intermediate and synthesis method thereof 中国科学院上海有机化学研究所 2020-04-17 CN disclosed
CN-107922418-A Antimicrobial compounds and methods of making and using the same 梅琳塔治疗公司 2018-04-17 CN disclosed
CN-104024247-B Be useful on treatment human papilloma virus's the polyamide being replaced by guanidine radicals NANOVIR LLC (US) 2016-05-25 CN disclosed