SCHEMBL7684284

SCHEMBL7684284

O=C(O)CCOc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1OCCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PRSS1 P07477 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
CASP6 P55212 1/20 0.41
MCL1 Q07820 1/20 0.40
POLB P06746 1/20 0.40
KCNH2 Q12809 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39

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
SCHEMBL8070421 0.84 RECQL (0.43) NPC1RECQLRAB9AKDM4EGAA
SCHEMBL3039333 0.83 POLB (0.50) LMNANPC1KDM4EGAAMEN1
SCHEMBL9063384 0.81 MEN1 (0.59) KDM4EMEN1KMT2AALDH1A1CASP6
SCHEMBL4867096 0.81 RAB9A (0.72) LMNANPC1RECQLRAB9AKDM4E
SCHEMBL4867102 0.81 RAB9A (0.72) LMNANPC1RECQLRAB9AKDM4E
SCHEMBL19018920 0.81 MAPT (0.55) LMNAKDM4EGAAMEN1KMT2A
SCHEMBL2553602 0.81 ALDH1A1 (0.68) LMNAKDM4EMEN1KMT2AALDH1A1
SCHEMBL22660234 0.80 KDM4E (0.48) LMNANPC1RECQLRAB9AKDM4E
SCHEMBL30930995 0.80 NPC1 (0.44) LMNANPC1RECQLRAB9AKDM4E
SCHEMBL29182839 0.80 NPC1 (0.44) LMNANPC1RECQLRAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623134-B1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS UNIV TEXAS (US) 2002-11-06 EP disclosed
US-5994535-A Water soluble texaphyrin metal complex preparation BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-11-30 US disclosed
US-5733903-A ANTITUMOR AGENTS WITH DIAMAGNETISM BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-03-31 US disclosed
US-5569759-A MAGNETIC RESONANCE IMAGING; TUMOR THERAPY BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 1996-10-29 US disclosed
US-5504205-A MACROMOLECULAR PORPHYRINS; WATER SOLUBILITY, LIPOPHILIC BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 1996-04-02 US disclosed
US-5475104-A Useful in magnetic resonance imaging; detection tumors, cancer cells; transition and lanthanide metals BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-12-12 US disclosed
US-5457183-A Radiosensitizers BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-10-10 US disclosed
US-5451576-A Tumor imaging and treatment by water soluble texaphyrin metal complexes BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-09-19 US disclosed
US-5439570-A Destroying tumors, viruses; magnetic resonance imaging BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-08-08 US disclosed
US-5432171-A Water soluble texaphyrin metal complexes for viral deactivation BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-07-11 US disclosed
EP-0623134-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1994-11-09 EP disclosed
US-5252720-A Medical uses BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-10-12 US disclosed
WO-1993014093-A1 METAL COMPLEXES OF WATER SOLUBLE TEXAPHYRINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-07-22 WO disclosed