SCHEMBL4300849

SCHEMBL4300849

O=[N+]([O-])c1ccccc1OP(=O)(Oc1ccccc1[N+](=O)[O-])Sc1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGD P15428 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
PDE7A Q13946 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 4/20 0.39
GBA1 P04062 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 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
SCHEMBL6009724 0.78 ALDH1A1 (0.56) ALDH1A1TDP1HPGDNPC1RAB9A
SCHEMBL8085362 0.78 ALDH1A1 (0.56) ALDH1A1TDP1HPGDNPC1RAB9A
SCHEMBL36924 0.78 ALDH1A1 (0.60) ALDH1A1TDP1HPGDNPC1RAB9A
SCHEMBL11259232 0.77 ALDH1A1 (0.45) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL307762 0.76 ALDH1A1 (0.58) ALDH1A1TDP1HPGDNPC1RAB9A
SCHEMBL29981558 0.76 ALDH1A1 (0.58) ALDH1A1TDP1HPGDNPC1RAB9A
SCHEMBL6009726 0.76 ALDH1A1 (0.53) ALDH1A1TDP1HPGDNPC1RAB9A
SCHEMBL8085366 0.76 ALDH1A1 (0.53) ALDH1A1TDP1HPGDNPC1RAB9A
SCHEMBL8085364 0.76 ALDH1A1 (0.53) ALDH1A1TDP1HPGDNPC1RAB9A
SCHEMBL2474283 0.75 ALDH1A1 (0.56) ALDH1A1TDP1HPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317407-A1 METHODS AND COMPOSITIONS FOR STIMULATION OF CHIMERIC ANTIGEN RECEPTOR T CELLS WITH HAPTEN LABELLED CELLS Seattle Children's Hospital (dba Seattle Children's Research Institute) 2021-10-14 US disclosed
US-20150191607-A1 Anti-fouling Paints and Coatings REACTIVE SURFACES, LTD (US) 2015-07-09 US disclosed
WO-2009126841-A1 ENZYMATIC BIOSENSORS WITH ENHANCED ACTIVITY RETENTION FOR DETECTION OF ORGANIC COMPOUNDS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-10-15 WO disclosed
EP-1392825-A4 PHOSPHOTRIESTERASE FROM AGROBACTERIUM RADIOBACTER P230 COMMW SCIENT IND RES ORG (AU) 2005-01-26 EP disclosed
EP-1392825-A1 PHOSPHOTRIESTERASE FROM AGROBACTERIUM RADIOBACTER P230 COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-03-03 EP disclosed
WO-2002092803-A1 PHOSPHOTRIESTERASE FROM AGROBACTERIUM RADIOBACTER P230 COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2002-11-21 WO disclosed