SCHEMBL20059213

SCHEMBL20059213

CC(C)OC(=O)C(C)NP(=O)(Oc1ccccc1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CES2 O00748 1/20 0.46
▸ CES1 P23141 1/20 0.46
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL15588696 1.00 BTN3A1 (0.48) BTN3A1ALDH1A1CA1CA2CES2
SCHEMBL851467 1.00 BTN3A1 (0.48) BTN3A1ALDH1A1CA1CA2CES2
SCHEMBL13051654 1.00 BTN3A1 (0.48) BTN3A1ALDH1A1CA1CA2CES2
SCHEMBL850882 1.00 BTN3A1 (0.48) BTN3A1ALDH1A1CA1CA2CES2
SCHEMBL851091 1.00 BTN3A1 (0.48) BTN3A1ALDH1A1CA1CA2CES2
SCHEMBL15457700 1.00 BTN3A1 (0.48) BTN3A1ALDH1A1CA1CA2CES2
SCHEMBL28842286 1.00 BTN3A1 (0.48) BTN3A1ALDH1A1CA1CA2CES2
SCHEMBL17601834 0.96 CA1 (0.49) BTN3A1ALDH1A1CA1CA2CES2
SCHEMBL16892447 0.93 BTN3A1 (0.44) BTN3A1ALDH1A1CA1CA2CES2
SCHEMBL30770430 0.92 KMT2A (0.47) ALDH1A1CA1CA2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115103680-B 5- (4-Aminopyrrolo [2,1-f ] [1,2,4] triazin-7-yl) -2-cyano-3, 4-dihydroxytetrahydrofuran derivatives as antiviral agents 吉利德科学公司 2024-07-23 — — CN disclosed
WO-2023108286-A1 PYRIDOXAL-5-PHOSPHATE (P5P) ANALOGS CANAM BIORESEARCH INC. (CA) 2023-06-22 — — WO disclosed
CN-115175735-A Antiviral compounds 吉利德科学公司 2022-10-11 — — CN disclosed
CN-115103680-A 5- (4-aminopyrrolo [2,1-f ] [1,2,4] triazin-7-yl) -2-cyano-3, 4-dihydroxytetrahydrofuran derivatives as antiviral agents 吉利德科学公司 2022-09-23 — — CN disclosed
CN-107849594-B Deamination of organophosphorus nucleosides 科技学专业学院有限公司 2022-01-18 — — CN disclosed
EP-2852603-B1 D-AMINO ACID COMPOUNDS FOR LIVER DISEASE IDENIX PHARMACEUTICALS LLC (US) 2021-05-12 — — EP disclosed
CN-111848711-A 2' -chloronucleoside analogs for HCV infection 埃迪尼克斯医药有限责任公司 2020-10-30 — — CN disclosed
CN-111269264-A Dioxolane analogues of uridine for the treatment of cancer 美迪维尔公司 2020-06-12 — — CN disclosed
CN-107074826-B Dioxolane analogues of uridine for the treatment of cancer 美迪维尔公司 2020-05-22 — — CN disclosed
CN-110804072-A Dioxolane analogues of uridine for the treatment of cancer 美迪维尔公司 2020-02-18 — — CN disclosed
CN-110790789-A Dioxolane analogues of uridine for the treatment of cancer 美迪维尔公司 2020-02-14 — — CN disclosed
EP-2906579-B1 2'-CHLORO NUCLEOSIDE ANALOGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-04-18 — — EP disclosed
CN-104230985-B Preparation method of (s)-2-[(s)-(4-nitro-phenoxy)-phenoxy-phosphoryl amino] isopropyl propionate 北京天弘天达医药科技有限公司 2017-01-18 — — CN disclosed
CN-104230985-B Preparation method of (s)-2-[(s)-(4-nitro-phenoxy)-phenoxy-phosphoryl amino] isopropyl propionate 北京天弘天达医药科技有限公司 2017-01-18 — — CN disclosed
CN-104230985-A Preparation method of (s)-2-[(s)-(4-nitro-phenoxy)-phenoxy-phosphoryl amino] isopropyl propionate BEIJING THTD PHARMACEUTICAL TECHNOLOGY CO LTD 2014-12-24 — — CN disclosed
CN-104230985-A Preparation method of (s)-2-[(s)-(4-nitro-phenoxy)-phenoxy-phosphoryl amino] isopropyl propionate BEIJING THTD PHARMACEUTICAL TECHNOLOGY CO LTD 2014-12-24 — — CN disclosed
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