SCHEMBL7258731

SCHEMBL7258731

O=C1N[C@H]2[C@H](CS[C@H]2CCCCC(=O)OC(=O)CBr)N1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.72
MEN1 O00255 1/20 0.67
ABL1 P00519 1/20 0.67
LMNA P02545 1/20 0.67
PKM P14618 1/20 0.67
IDE P14735 1/20 0.67
MAPK1 P28482 1/20 0.67
KMT2A Q03164 1/20 0.67
RIN1 Q13671 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HLCS P50747 6/20 0.59
CA12 O43570 5/20 0.49
CA1 P00915 5/20 0.49
CA2 P00918 5/20 0.49
CA9 Q16790 5/20 0.49
HPSE Q9Y251 1/20 0.47

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
SCHEMBL28283183 0.94 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL28119479 0.94 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL21114407 0.94 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL21176811 0.94 TDP1 (0.81) TDP1MEN1ABL1LMNAPKM
SCHEMBL22265330 0.92 TDP1 (0.79) TDP1MEN1ABL1LMNAPKM
SCHEMBL28516361 0.89 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM
SCHEMBL2589782 0.88 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL34456 0.88 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL20473406 0.88 TDP1 (0.72) TDP1MEN1ABL1LMNAPKM
SCHEMBL28157478 0.88 TDP1 (0.76) 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 7 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
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