SCHEMBL2964533

SCHEMBL2964533

O=S(=O)(Oc1ccc2cc(Br)ccc2c1)Oc1ccc2cc(Br)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.47
CYP2A6 P11509 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
LMNA P02545 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
THRB P10828 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 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
SCHEMBL32665362 0.84 NCEH1 (0.45) NCEH1CYP2A6CA1CA2CA9
SCHEMBL18532783 0.84 NCEH1 (0.45) NCEH1CYP2A6CA1CA2CA9
SCHEMBL6824930 0.84 NCEH1 (0.49) NCEH1CYP2A6CA1CA2CA9
SCHEMBL2964535 0.84 GAA (0.51) NCEH1CYP2A6CA1CA2CA9
Potassium Ion SCHEMBL4607951 0.82 PTGS2 (0.47) NCEH1CYP2A6CA1CA2CA9
SCHEMBL1195896 0.81 HSD11B1 (0.45) NCEH1CYP2A6CA1CA2CA9
SCHEMBL31456219 0.81 HSD11B1 (0.45) NCEH1CYP2A6CA1CA2CA9
SCHEMBL27746568 0.80 CA2 (0.67) CYP2A6CA1CA2CA9LMNA
SCHEMBL8320952 0.78 CA1 (0.70) CYP2A6CA1CA2CA9LMNA
SCHEMBL5526773 0.74 CYP2A6 (0.50) NCEH1CYP2A6CA1CA2CA9

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-7772009-B2 Room temperature phosphorescence apparatus and methods SCR Research, LLC (US) 2010-08-10 US disclosed
EP-0870054-B1 METHOD AND COMPOSITION FOR DETECTING BACTERIAL CONTAMINATION IN FOOD PRODUCTS BIOCONTROL SYSTEMS INC (US) 2008-07-30 EP disclosed
WO-2007061574-A2 ROOM TEMPERATURE PHOSPHORESCENCE APPARATUS AND METHODS SCA RESEARCH, LLC (US) 2007-05-31 WO disclosed
US-20070117215-A1 Room temperature phosphorescence apparatus and methods POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2007-05-24 US disclosed
US-6472167-B1 MEASURE VIABLE BACTERIA AS A FUNCTION OF THE ACTIVITIES OF BACTERIAL ENZYMES, PHOSPHATASES, GLUCOSIDASES, AND AMINOPEPTIDASES; PRESENCE DETECTED BY A FLUORESCENT SIGNAL BIOCONTROL SYSTEMS, INC. 2002-10-29 US disclosed
US-6387650-B1 INNOCULATING AND INCUBATING TEST SAMPLE ON GROWTH MEDIUM HAVING ENZYME SUBSTRATES FOR PHOSPHATASE, GLYCOSIDASE, AND PEPTIDASE, THEN DETECTING OR MEASURING SIGNAL PRODUCED BY THE HYDROLYSIS OF THE SUBSTRATES BIOCONTROL SYSTEMS, INC. 2002-05-14 US disclosed