SCHEMBL7258710

SCHEMBL7258710

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.56
MEN1 O00255 1/20 0.56
ABL1 P00519 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
IDE P14735 1/20 0.56
MAPK1 P28482 1/20 0.56
KMT2A Q03164 1/20 0.56
RIN1 Q13671 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HLCS P50747 6/20 0.53
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
FOLH1 Q04609 2/20 0.42
PTPRF P10586 1/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 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
SCHEMBL8509413 0.90 TDP1 (0.57) TDP1MEN1ABL1LMNAPKM
SCHEMBL487045 0.87 TDP1 (0.68) TDP1MEN1ABL1LMNAPKM
SCHEMBL4464825 0.85 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL29375721 0.85 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL2182339 0.85 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL8508662 0.85 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL5498960 0.85 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL714968 0.84 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
Iodide SCHEMBL2533594 0.83 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL15020036 0.83 HLCS (0.65) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1346730-A1 Pretargeting methods and novel pretargeting conjugates NEORX CORPORATION (US) 2003-09-24 EP disclosed
EP-0794788-B1 HEPATIC-DIRECTED COMPOUNDS AND REAGENTS FOR PREPARATION THEREOF NEORX CORP (US) 2003-05-14 EP disclosed
US-6217869-B1 ADMINISTERING ANTIBODY, ANTIGEN, LIGAND COMPLEX NEORX CORPORATION 2001-04-17 US disclosed
US-6015897-A FOR CONJUGATION TO LIGAND/ANTILIGAND PAIR AND USE IN DELIVERY OF THERAPEUTIC OR DIAGNOSTIC AGENT TO TARGETED SITE NEORX CORPORATION (US) 2000-01-18 US disclosed
US-5976535-A ADMINISTERING A FIRST CONJUGATE COMPRISING A TARGETING MOIETY AND STREPTAVIDIN; AND SUBSEQUENTLY ADMINISTERING A SECOND CONJUGATE COMPRISING A CYTOKINE AND BIOTIN, REDUCING THE ENDOGENOUS BIOTIN LEVEL NEORX CORPORATION (US) 1999-11-02 US disclosed
EP-0733066-A4 PRETARGETING METHODS AND COMPOUNDS NEORX CORP (US) 1999-04-21 EP disclosed
EP-0733066-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1996-09-25 EP disclosed
WO-1995015979-A1 PRETARGETING METHODS AND COMPOUNDS NEORX CORPORATION (US) 1995-06-15 WO disclosed