SCHEMBL4054403

SCHEMBL4054403

O=[N+]([O-])c1ccccc1OS(=O)(=O)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
TDP1 Q9NUW8 2/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
RECQL P46063 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 2/20 0.42
ESR2 Q92731 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4305407 0.91 ALDH1A1 (0.60) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL8757579 0.81 ALDH1A1 (0.53) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL3943254 0.77 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL28326326 0.77 HTT (0.66) ALDH1A1RAB9AL3MBTL1HPGDKMT2A
SCHEMBL4102754 0.77 ALDH1A1 (0.61) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL3943250 0.77 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL2501666 0.77 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL2333531 0.77 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL31443947 0.77 ALDH1A1 (0.56) ALDH1A1TDP1NPC1RAB9ARECQL
SCHEMBL238962 0.77 L3MBTL1 (0.62) ALDH1A1TDP1NPC1RAB9ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203879-A1 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME BIOSIGHT LTD 2009-08-13 US claimed
EP-1814908-A4 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME BIOSIGHT LTD (IL) 2009-07-01 EP claimed
EP-1814908-A1 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME Biosight Ltd. (IL) 2007-08-08 EP claimed
WO-2006054310-A1 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME BIOSIGHT LTD. (IL) 2006-05-26 WO claimed
US-8435800-B2 Activated labeling reagents and methods for preparing and using the same BIOSIGHT LTD. (IL) 2013-05-07 US disclosed
US-20090203879-A1 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME BIOSIGHT LTD 2009-08-13 US disclosed
EP-1814908-A4 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME BIOSIGHT LTD (IL) 2009-07-01 EP disclosed
EP-1814908-A1 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME Biosight Ltd. (IL) 2007-08-08 EP disclosed
WO-2006054310-A1 ACTIVATED LABELING REAGENTS AND METHODS FOR PREPARING AND USING THE SAME BIOSIGHT LTD. (IL) 2006-05-26 WO disclosed