SCHEMBL31378143

SCHEMBL31378143

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ ABL1 P00519 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ PKM P14618 1/20 0.68
▸ IDE P14735 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ RIN1 Q13671 1/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.68
▸ FOLH1 Q04609 2/20 0.58
▸ HLCS P50747 3/20 0.54
▸ CA12 O43570 5/20 0.53
▸ CA1 P00915 5/20 0.53
▸ CA2 P00918 5/20 0.53
▸ CA9 Q16790 5/20 0.53
▸ CAPN1 P07384 2/20 0.51
▸ PTPRF P10586 2/20 0.51
▸ PTPN2 P17706 2/20 0.51
▸ PTPN1 P18031 2/20 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
SCHEMBL7577396 0.92 TDP1 (0.64) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378057 0.91 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL31248180 0.91 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378085 0.91 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL4624128 0.91 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL29400740 0.91 TDP1 (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL31378084 0.90 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL31332171 0.88 CAPN1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL2458624 0.88 TDP1 (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL10140261 0.88 TDP1 (0.62) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119470877-A Biotinylation modified amino acid probe, preparation method and application thereof, and method and application for identifying amino acid binding protein 同济大学 2025-02-18 — — CN disclosed
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