SCHEMBL6538570

SCHEMBL6538570

CC(C)C(N)(N)C(=O)O.O=C1CCC(=O)N1O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL7857935 0.77 LMNA (0.33) LMNACA12CA1CA2CA3
SCHEMBL2825358 0.77
Pivalate SCHEMBL10534446 0.76 POLB (0.34) CA12CA1CA9POLB
Carbamic Acid SCHEMBL699756 0.73 ACHE (0.39) LMNACA12CA1CA2CA3
Acetic Acid SCHEMBL21834859 0.73 FFAR3 (0.39) MAPTKMT2ACA12CA1CA9
Acetic Acid SCHEMBL482738 0.73 FFAR3 (0.39) MAPTKMT2ACA12CA1CA9
SCHEMBL1906466 0.72 MEN1 (0.34) MAPTMEN1KMT2ACA12CA1
SCHEMBL4891780 0.72 KDM4E (0.36) CA12CA1CA9POLB
Bicarbonate SCHEMBL14917 0.72 CA1 (0.38) LMNACA12CA1CA2CA9
Bicarbonate SCHEMBL6150295 0.72 CA1 (0.38) LMNACA12CA1CA2CA9

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486509-A2 Radiolabeled annexin-galactose cluster conjugates NEORX CORPORATION (US) 2004-12-15 EP disclosed
EP-0799050-B1 RADIOLABELED ANNEXIN-GALACTOSE CLUSTER CONJUGATES NEORX CORP (US) 2004-08-11 EP disclosed
EP-1426062-A2 Radiolabeled annexins NEORX CORPORATION (US) 2004-06-09 EP disclosed
EP-0918547-B1 RADIOLABELED ANNEXINS NEORX CORP (US) 2004-03-10 EP disclosed
EP-0794788-B1 HEPATIC-DIRECTED COMPOUNDS AND REAGENTS FOR PREPARATION THEREOF NEORX CORP (US) 2003-05-14 EP disclosed
US-6171577-B1 ACCESSIBLE SULFHYDRYL GROUP; AND HEXOSE MOIETY RECOGNIZED BY A MAMMALIAN LIVER RECEPTOR, WHEREIN THE HEXOSE MOIETY IS CONJUGATED TO THE ANNEXIN. NEORX CORPORATION 2001-01-09 US disclosed
US-5985826-A Methods of using hepatic-directed compounds in pretargeting strategies NEORX CORPORATION (US) 1999-11-16 US disclosed
EP-0799050-A4 RADIOLABELED ANNEXIN-GALACTOSE CLUSTER CONJUGATES NEORX CORP (US) 1998-06-03 EP disclosed
EP-0799050-A1 RADIOLABELED ANNEXIN-GALACTOSE CLUSTER CONJUGATES NEORX CORPORATION (US) 1997-10-08 EP disclosed
WO-1996017618-A1 RADIOLABELED ANNEXIN-GALACTOSE CLUSTER CONJUGATES NEORX CORPORATION (US) 1996-06-13 WO disclosed