SCHEMBL30337446

SCHEMBL30337446

CCOC(=O)[C@H]1CC[C@H](N)[C@H](N=[N+]=[N-])C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ GAA P10253 1/20 0.31

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
SCHEMBL28295181 0.84 MAPT (0.36) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL18897229 0.84 MAPT (0.36) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16071861 0.84 MAPT (0.36) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL13618930 0.84 MAPT (0.36) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL31664520 0.84 MEN1 (0.39) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL30278791 0.84 MEN1 (0.39) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL19360747 0.82 MAPT (0.36) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16134084 0.82 MAPT (0.36) MAPTALDH1A1MEN1KMT2ACYP3A4
Cadaverine Tartrate SCHEMBL28685876 0.77 MAPT (0.32) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL16683542 0.77 MAPT (0.44) MAPTALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4438592-B1 EDOXABAN INTERMEDIATE AND PREPARATION METHOD THEREFOR SHANGHAI BIOS TECH CO LTD (CN) 2026-02-11 — — EP disclosed
EP-4438592-A1 EDOXABAN INTERMEDIATE AND PREPARATION METHOD THEREFOR Shanghai Bios Technology Co., Ltd. (CN) 2024-10-02 — — EP disclosed
CN-115594613-A Edoxaban intermediate and preparation method thereof 上海柏狮生物科技有限公司(CN) 2023-01-13 — — CN disclosed
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