SCHEMBL4351249

SCHEMBL4351249

O=C(Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Oc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
GPR35 Q9HC97 5/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
HPGD P15428 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MAPT P10636 2/20 0.50
MAPK1 P28482 2/20 0.50
HIF1A Q16665 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TTR P02766 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
RECQL P46063 1/20 0.50
PMP22 Q01453 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 2/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL1221505 0.88 TDP1 (0.54) ALDH1A1GPR35KMT2AMEN1HPGD
SCHEMBL30460084 0.88 ALDH1A1 (0.57) ALDH1A1GPR35KMT2AMEN1HPGD
SCHEMBL619394 0.88 ALDH1A1 (0.57) ALDH1A1GPR35KMT2AMEN1HPGD
SCHEMBL11125491 0.86 CA1 (0.51) ALDH1A1GPR35KMT2AMEN1HPGD
SCHEMBL3784249 0.86 KMT2A (0.48) ALDH1A1GPR35KMT2AMEN1HPGD
SCHEMBL10728972 0.85 GPR35 (0.49) ALDH1A1GPR35KMT2AMEN1HPGD
SCHEMBL11563856 0.85 KMT2A (0.52) ALDH1A1GPR35KMT2AMEN1HPGD
SCHEMBL27831908 0.84 TDP1 (0.42) ALDH1A1GPR35KMT2AMEN1HPGD
SCHEMBL4451197 0.81 KMT2A (0.47) ALDH1A1GPR35KMT2AMEN1HPGD
SCHEMBL5582478 0.80 KMT2A (0.46) ALDH1A1GPR35KMT2AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9116147-B2 Compositions and methods for detection of small molecules using dyes derivatized with analyte responsive receptors in a chemiluminescent assay BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-08-25 US claimed
US-9116147-B2 Compositions and methods for detection of small molecules using dyes derivatized with analyte responsive receptors in a chemiluminescent assay BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2015-08-25 US disclosed
WO-2009148651-A1 COMPOSITIONS AND METHODS FOR DETECTION OF SMALL MOLECULES USING DYES DERIVATIZED WITH ANALYTE RESPONSIVE RECEPTORS IN A CHEMILUMINESCENT ASSAY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-12-10 WO disclosed
US-20090269765-A1 Compositions And Methods For Detection Of Small Molecules Using Dyes Derivatized with Analyte Responsive Receptors in a Chemiluminescent Assay NAVY, SECRETARY OF THE, UNITED STATES OF AMERICA OFFICE OF NAVAL RESEARCH 2009-10-29 US disclosed