SCHEMBL23124403

SCHEMBL23124403

O=C1NC2CSC(CCCC(C(=O)O)N3C(=O)CCC3=O)C2N1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.57
MEN1 O00255 1/20 0.57
ABL1 P00519 1/20 0.57
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57
IDE P14735 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
RIN1 Q13671 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HLCS P50747 6/20 0.53
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
FOLH1 Q04609 2/20 0.41

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
SCHEMBL625200 1.00 TDP1 (0.57) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL29531755 0.94 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL3648687 0.90 TDP1 (0.53) TDP1MEN1ABL1LMNAPKM
SCHEMBL8597261 0.88 TDP1 (0.51) TDP1MEN1ABL1LMNAPKM
SCHEMBL2232070 0.87 TDP1 (0.56) TDP1MEN1ABL1LMNAPKM
SCHEMBL7906513 0.87 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL20537346 0.86 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL28653646 0.86 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL25305424 0.86 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL15104961 0.85 TDP1 (0.68) 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
EP-4031550-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS The University of Chicago (US) 2022-07-27 EP disclosed
CN-114728970-A Optical proximity analysis of protein-protein interactions in cells 芝加哥大学 2022-07-08 CN disclosed
WO-2021055960-A1 PHOTOPROXIMITY PROFILING OF PROTEIN-PROTEIN INTERACTIONS IN CELLS THE UNIVERSITY OF CHICAGO (US) 2021-03-25 WO disclosed