SCHEMBL6040739

SCHEMBL6040739

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ ABL1 P00519 1/20 0.67
▸ LMNA P02545 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ IDE P14735 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ RIN1 Q13671 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ HLCS P50747 6/20 0.59
▸ CA12 O43570 7/20 0.52
▸ CA1 P00915 7/20 0.52
▸ CA2 P00918 7/20 0.52
▸ CA9 Q16790 7/20 0.52

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
Hydrochloric Acid SCHEMBL9073700 0.99 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL2536441 0.89 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
Hydrochloric Acid SCHEMBL3417755 0.88 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL15647842 0.87 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL23066879 0.86 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL15053200 0.86 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL912652 0.86 TDP1 (0.74) TDP1MEN1ABL1LMNAPKM
SCHEMBL7990790 0.84 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL13253967 0.84 TDP1 (0.71) TDP1MEN1ABL1LMNAPKM
SCHEMBL19228634 0.84 TDP1 (0.71) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2585489-A1 NEW MEDIUM, DEVICES AND METHODS JJK Medical Ltd. (GB) 2013-05-01 — — EP disclosed
US-20130098834-A1 MEDIUM, DEVICES AND METHODS JJK MEDICAL LTD. (GB) 2013-04-25 — — US disclosed
WO-2011161017-A1 NEW MEDIUM, DEVICES AND METHODS JJK MEDICAL LTD. (GB) 2011-12-29 — — WO disclosed
US-20060009623-A1 C-terminal attachment of ligands to proteins for immobilization onto a support NATIONAL UNIVERSITY OF SINGAPORE 2006-01-12 — — US disclosed
US-20040265921-A1 Intein-mediated attachment of ligands to proteins for immobilization onto a support NATIONAL UNIVERSITY OF SINGAPORE 2004-12-30 — — US disclosed
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