SCHEMBL30749256

SCHEMBL30749256

CCOC(=O)c1[nH]ccc1NCc1ccccc1C1CN(C(=O)OC(C)(C)C)CCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ ALOX15 P16050 2/20 0.35
▸ GRIN2B Q13224 2/20 0.35
▸ JAK1 P23458 5/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ ACHE P22303 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
SCHEMBL27223619 1.00 IDO1 (0.37) IDO1ATMMAPTNPSR1MEN1
SCHEMBL30749261 0.95 ALDH1A1 (0.37) IDO1ATMMAPTNPSR1MEN1
SCHEMBL27224134 0.89 ALOX15 (0.38) IDO1MAPTALOX15GRIN2BALDH1A1
SCHEMBL27223438 0.86 JAK2 (0.43) IDO1ATMMAPTNPSR1MEN1
SCHEMBL30749339 0.86 JAK2 (0.43) IDO1ATMMAPTNPSR1MEN1
SCHEMBL27224082 0.85 JAK2 (0.46) IDO1ATMMAPTNPSR1MEN1
SCHEMBL30749250 0.85 JAK2 (0.46) IDO1ATMMAPTNPSR1MEN1
SCHEMBL27223567 0.83 ATM (0.38) IDO1ATMMAPTNPSR1MEN1
SCHEMBL30749240 0.81 MEN1 (0.40) IDO1ATMMAPTNPSR1MEN1
SCHEMBL31556733 0.81 MEN1 (0.40) IDO1ATMMAPTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4573096-A1 INHIBITORS OF MYELOPEROXIDASE Astrazeneca AB (SE) 2025-06-25 — — EP disclosed
WO-2024038131-A1 INHIBITORS OF MYELOPEROXIDASE ASTRAZENECA AB (SE) 2024-02-22 — — WO disclosed
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