SCHEMBL28601561

SCHEMBL28601561

N=C(N)NCCC[C@H](N)C(=O)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21.[Mn]

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.61
▸ MEN1 O00255 1/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ IDE P14735 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ RIN1 Q13671 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HPSE Q9Y251 1/20 0.47
▸ FOLH1 Q04609 2/20 0.46
▸ CNR1 P21554 3/20 0.45
▸ CA12 O43570 4/20 0.45
▸ CA1 P00915 4/20 0.45
▸ CA2 P00918 4/20 0.45
▸ CA9 Q16790 4/20 0.45
▸ HLCS P50747 1/20 0.44
▸ CNR2 P34972 2/20 0.44

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
SCHEMBL21768379 0.99 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL28395847 0.98 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL28717516 0.98 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL28346778 0.86 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL28780247 0.86 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL22190207 0.86 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL21768378 0.84 TDP1 (0.76) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL10796017 0.84 TDP1 (0.76) TDP1MEN1ABL1LMNAPKM
SCHEMBL8646594 0.82 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL23745168 0.78 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112979504-B Preparation method and application of argininyl manganese 长沙兴嘉生物工程股份有限公司 2023-02-28 — — CN claimed
CN-112979504-A Preparation method and application of argininyl manganese 长沙兴嘉生物工程股份有限公司 2021-06-18 — — CN claimed
CN-112979504-B Preparation method and application of argininyl manganese 长沙兴嘉生物工程股份有限公司 2023-02-28 — — CN disclosed
CN-112979504-B Preparation method and application of argininyl manganese 长沙兴嘉生物工程股份有限公司 2023-02-28 — — CN disclosed
CN-112979504-A Preparation method and application of argininyl manganese 长沙兴嘉生物工程股份有限公司 2021-06-18 — — CN disclosed
CN-112979504-A Preparation method and application of argininyl manganese 长沙兴嘉生物工程股份有限公司 2021-06-18 — — CN disclosed
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