SCHEMBL29512013

SCHEMBL29512013

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.63
▸ MEN1 O00255 1/20 0.60
▸ ABL1 P00519 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ IDE P14735 1/20 0.60
▸ MAPK1 P28482 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ RIN1 Q13671 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ FOLH1 Q04609 4/20 0.59
▸ CA12 O43570 6/20 0.52
▸ CA1 P00915 6/20 0.52
▸ CA2 P00918 6/20 0.52
▸ CA9 Q16790 6/20 0.52
▸ PLG P00747 1/20 0.51
▸ PRSS1 P07477 1/20 0.51
▸ PRSS2 P07478 1/20 0.51
▸ PRSS3 P35030 1/20 0.51
▸ TPSAB1 Q15661 1/20 0.51

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
SCHEMBL739034 0.98 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL10044328 0.92 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL30800274 0.90 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL21122090 0.90 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL15054304 0.90 TDP1 (0.58) TDP1MEN1ABL1LMNAPKM
SCHEMBL5804916 0.90 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL5817718 0.90 HLCS (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378060 0.90 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL31248180 0.90 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378057 0.90 TDP1 (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114249801-A Cyclopeptide compound and preparation method and application thereof 南开大学 2022-03-29 — — CN claimed
CN-114249801-A Cyclopeptide compound and preparation method and application thereof 南开大学 2022-03-29 — — CN disclosed
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