SCHEMBL8760691

SCHEMBL8760691

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.64
HLCS P50747 6/20 0.60
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
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
CNR1 P21554 1/20 0.45
HPSE Q9Y251 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL28157478 0.87 TDP1 (0.76) TDP1HLCSMEN1ABL1LMNA
SCHEMBL28298433 0.86 HLCS (0.76) TDP1HLCSMEN1ABL1LMNA
SCHEMBL479444 0.85 HLCS (0.72) TDP1HLCSMEN1ABL1LMNA
Hydrochloric Acid SCHEMBL7374429 0.84 HLCS (0.70) TDP1HLCSMEN1ABL1LMNA
SCHEMBL28283183 0.83 TDP1 (0.81) TDP1HLCSMEN1ABL1LMNA
SCHEMBL21176811 0.83 TDP1 (0.81) TDP1HLCSMEN1ABL1LMNA
SCHEMBL28119479 0.83 TDP1 (0.81) TDP1HLCSMEN1ABL1LMNA
SCHEMBL21114407 0.83 TDP1 (0.81) TDP1HLCSMEN1ABL1LMNA
SCHEMBL22265330 0.82 TDP1 (0.79) TDP1HLCSMEN1ABL1LMNA
SCHEMBL28516340 0.81 TDP1 (0.73) TDP1HLCSMEN1ABL1LMNA

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
US-5656742-A Ring-opened purine compounds for labeling polynucleotides UNIVERSITY OF MIAMI (US) 1997-08-12 US disclosed
EP-0625985-B1 METHOD AND RING-OPENED PURINE COMPOUNDS FOR LABELING POLYNUCLEOTIDES UNIV MIAMI (US) 1997-06-11 EP disclosed
US-5593829-A Method for labeling DNA by ring-opening of purine bases UNIVERSITY OF MIAMI (US) 1997-01-14 US disclosed
EP-0625985-A1 METHOD AND RING-OPENED PURINE COMPOUNDS FOR LABELING POLYNUCLEOTIDES. UNIV MIAMI (US) 1994-11-30 EP disclosed
WO-1993011146-A1 METHOD AND RING-OPENED PURINE COMPOUNDS FOR LABELING POLYNUCLEOTIDES UNIVERSITY OF MIAMI (US) 1993-06-10 WO disclosed