SCHEMBL7646663

SCHEMBL7646663

O=C(CBr)Nc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 2/20 0.52
MEN1 O00255 2/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SMAD3 P84022 1/20 0.52
PRMT1 Q99873 1/20 0.52
ACE2 Q9BYF1 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 2/20 0.50
ALOX12 P18054 2/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
BRCA1 P38398 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 2/20 0.36

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
SCHEMBL11310755 0.89 FTO (0.52) FTOMAPTHPGDMEN1HTT
SCHEMBL183875 0.89 FTO (0.52) FTOMAPTHPGDMEN1HTT
SCHEMBL1978381 0.89 FTO (0.52) FTOMAPTHPGDMEN1HTT
SCHEMBL9428188 0.86 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL5149281 0.85 FTO (0.55) FTOMAPTHPGDMEN1HTT
SCHEMBL9427469 0.85 HPGD (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL1254421 0.85 FTO (0.64) FTOMAPTHPGDMEN1HTT
SCHEMBL905219 0.84 FTO (0.47) FTOMAPTHPGDMEN1HTT
SCHEMBL4885766 0.84 FTO (0.47) FTOMAPTHPGDMEN1HTT
SCHEMBL15778575 0.84 FTO (0.47) FTOMAPTHPGDMEN1HTT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6472227-B1 A FLUORESCEIN MOIETY IS INCLUDED IN THE TRACER, WHILE A POLY(AMINO ACID) FORMS A PART OF THE IMMUNOGEN FOR DETERMINING THE AMOUNT OF BARBITURATE IN FLUIDS, ESPECIALLY BIOLOGICAL FLUIDS SUCH AS SERUM, PLASMA OR URINE ABBOTT LABORATORIES 2002-10-29 US disclosed
EP-0457213-B1 Barbiturate assay, tracers, immunogens, antibodies and kit ABBOTT LAB (US) 1997-07-23 EP disclosed
EP-0279308-B1 Fluorescence polarization immunoassay for tetrahydrocannabinoids ABBOTT LAB (US) 1996-08-28 EP disclosed
US-5463027-A Fluorescence polarazation immunoassay for tetrahydrocannabinoids ABBOTT LABORATORIES (US) 1995-10-31 US disclosed
US-5372949-A Medical diagnosis ABBOTT LABORATORIES (US) 1994-12-13 US disclosed
US-5336622-A Competitive binding using a fluorescent dye tracer; monitoring dosage in biological fluid; sensitivity; accuracy; efficiency ABBOTT LABORATORIES (US) 1994-08-09 US disclosed
US-5264373-A Fluorescence polarization immunoassay for tetrahydrocannabinoids ABBOTT LABORATORIES (US) 1993-11-23 US disclosed
US-5260441-A Fluorescence polarization process for detecting unauthorized consumption of morphine ABBOTT LABORATORIES (US) 1993-11-09 US disclosed
US-5258512-A Immunoassay for opiate alkaloids and their metabolites; tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1993-11-02 US disclosed
EP-0242847-B1 TRACERS FOR USE IN FLECAINIDE FLUORESCENCE POLARIZATION IMMUNOASSAY ABBOTT LABORATORIES (US) 1993-06-02 EP disclosed
EP-0457213-A2 Barbiturate assay, tracers, immunogens, antibodies and kit ABBOTT LABORATORIES (US) 1991-11-21 EP disclosed
EP-0199963-B1 ETHOSUXIMIDE ASSAY TRACERS, IMMUNOGENS AND ANTIBODIES ABBOTT LABORATORIES (US) 1991-10-23 EP disclosed
EP-0402846-A2 Fluorescence polarization immunoassay for tetrahydrocannabinoids ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed
US-4939264-A Immunoassay for opiate alkaloids and their metabolites; tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1990-07-03 US disclosed
EP-0373508-A2 Barbiturate assay, tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1990-06-20 EP disclosed
EP-0279308-A2 Fluorescence polarization immunoassay for tetrahydrocannabinoids ABBOTT LABORATORIES (US) 1988-08-24 EP disclosed
EP-0254120-A2 Immunoassay for opiate alkaloids and their metabolites; tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1988-01-27 EP disclosed
EP-0242847-A2 Tracers for use in flecainide fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1987-10-28 EP disclosed
EP-0199963-A1 Ethosuximide assay tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1986-11-05 EP disclosed
EP-0199042-A1 Procainamide assay, tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1986-10-29 EP disclosed