SCHEMBL1946459

SCHEMBL1946459

O=C(O)Cc1cnc2c(O)cccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.54
PAX8 Q06710 1/20 0.48
PARP1 P09874 1/20 0.47
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
ALOX12 P18054 2/20 0.43
MMP2 P08253 1/20 0.43
CHRM1 P11229 1/20 0.43
COMT P21964 1/20 0.43
ADRA1A P35348 1/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ALDH1A1 P00352 1/20 0.43
AKR1B1 P15121 1/20 0.43
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42

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
SCHEMBL11127782 0.80 KDM4E (0.52) KDM4EPAX8PARP1ALDH1A1HPGD
SCHEMBL27765373 0.80 NR1H2 (0.47) PARP1
SCHEMBL10705519 0.79 KDM4E (0.59) KDM4EPAX8TSHRMMP2CHRM1
SCHEMBL4463430 0.79 KDM4E (0.62) KDM4EPAX8PARP1TSHRALOX12
SCHEMBL15547652 0.79 KDM4E (0.49) KDM4EPAX8PARP1HIF1AHSD17B10
SCHEMBL12272812 0.79 KDM4E (0.49) KDM4EPAX8PARP1HIF1AHSD17B10
SCHEMBL3432556 0.78 KDM4E (0.52) KDM4ETSHRLMNAALOX12MMP2
Hydrochloric Acid SCHEMBL9814926 0.78 KDM4E (0.60) KDM4EPAX8PARP1TSHRALOX12
Hydrochloric Acid SCHEMBL9814936 0.78 KDM4E (0.60) KDM4EPAX8PARP1TSHRALOX12
Oxyquinoline SCHEMBL17889764 0.77 ALDH1A1 (0.64) KDM4EPAX8TSHRLMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4639336-A RADIOIMMUNOASSAY ROUSSEL UCLAF (FR) 1987-01-27 US claimed
EP-0131491-A1 Estradiene derivatives labelled with iodine, process for their preparation and intermediates in their preparation, and their use in the study and the radioimmunological determination of steroids in body fluids ROUSSEL-UCLAF (FR) 1985-01-16 EP claimed
EP-0114011-A1 Iodine-labelled radioactive estratriene derivatives, process and intermediates for their preparation, their use in radioimmuno assays and in the preparation of antigens, and antigens so obtained ROUSSEL-UCLAF (FR) 1984-07-25 EP claimed
US-20110136259-A1 IMMUNOASSAY FOR CROSS-REACTING SUBSTANCES Life Technologies Corporation (US) 2011-06-09 US disclosed
US-20090005267-A1 IMMUNOASSAY FOR CROSS-REACTING SUBSTANCES INVITROGEN CORPORATION (US) 2009-01-01 US disclosed
WO-2008106653-A1 IMMUNOASSAY FOR CROSS-REACTING SUBSTANCES INVITROGEN CORPORATION (US) 2008-09-04 WO disclosed
EP-0361817-B1 Nucleophilic polysubstituted aryl acridinium esters, conjugates, production and uses thereof BAYER AG (US) 2002-08-28 EP disclosed
US-6080591-A USEFUL IN BIOLOGICAL ASSAYS FOR DETERMINATION OF VITAMIN B12, FOLATE, CORTISOL, ESTRADIOL, AND THROMBOXANE B2 BAYER CORPORATION (US) 2000-06-27 US disclosed
US-5663074-A INCUBATION OF FOLATE WITH AMINE REACTIVE COMPOUND, ACTIVATION AND INCUBATION THE ACRIDINIUM ESTER-FOLATE CONJUGATE CHIRON DIAGNOSTICS CORPORATION (US) 1997-09-02 US disclosed
US-5596004-A SEMEN PRODUCTION ELI LILLY AND COMPANY (US) 1997-01-21 US disclosed
US-5538901-A ANALYSIS CIBA CORNING DIAGNOSTICS CORP. (US) 1996-07-23 US disclosed
EP-0661270-A1 Nucleophilic polysubstituted aryl acridinium esters, conjugates, production and uses thereof Ciba Corning Diagnostics Corp. (US) 1995-07-05 EP disclosed
EP-0659424-A1 2-Phenyl-3-azoylbenzothiophenes for treating male infertility ELI LILLY AND COMPANY (US) 1995-06-28 EP disclosed
US-5241070-A Biological analysis CIBA CORNING DIAGNOSTICS CORP. (US) 1993-08-31 US disclosed
US-4639336-A RADIOIMMUNOASSAY ROUSSEL UCLAF (FR) 1987-01-27 US disclosed
EP-0131491-A1 Estradiene derivatives labelled with iodine, process for their preparation and intermediates in their preparation, and their use in the study and the radioimmunological determination of steroids in body fluids ROUSSEL-UCLAF (FR) 1985-01-16 EP disclosed