SCHEMBL7259931

SCHEMBL7259931

NC(N)(CCN[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ IDE P14735 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RIN1 Q13671 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CA12 O43570 10/20 0.48
▸ CA1 P00915 10/20 0.48
▸ CA2 P00918 10/20 0.48
▸ CA9 Q16790 10/20 0.48
▸ FOLH1 Q04609 2/20 0.42
▸ SLC6A3 Q01959 1/20 0.42
▸ HLCS P50747 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
SCHEMBL5804927 0.83 TDP1 (0.55) TDP1MEN1ABL1LMNAPKM
SCHEMBL7264495 0.81 TDP1 (0.48) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL28281161 0.80 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL3486834 0.80 TDP1 (0.59) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL1672383 0.79 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL10618578 0.79 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL13719079 0.76 FOLH1 (0.67) TDP1PKMCA12CA1CA2
SCHEMBL5808600 0.76 TDP1 (0.57) TDP1MEN1ABL1LMNAPKM
SCHEMBL10062839 0.74 CA12 (0.78) TDP1MEN1ABL1LMNAPKM
SCHEMBL4315244 0.74 CA12 (0.78) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6638508-B2 Drug delivery; therapy for liver disorders YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2003-10-28 — — US disclosed
US-20020009416-A1 MODIFIED AVIDIN-TYPE MOLECULES AS TARGETING AGENTS FOR THE LIVER AND CELLS OF THE RETICULOENDOTHELIAL SYSTEM YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2002-01-24 — — US disclosed
WO-1997022879-A1 MODIFIED AVIDIN-TYPE MOLECULES AS TARGETING AGENTS FOR THE LIVER AND CELLS OF THE RETICULOENDOTHELIAL SYSTEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 1997-06-26 — — WO disclosed
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