SCHEMBL6710679

SCHEMBL6710679

COc1ccc(C(OC[C@H]2O[C@@H](n3c(Br)nc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.43
TRPM2 O94759 1/20 0.37
TMIGD3 P0DMS9 3/20 0.37
ADORA3 P0DMS8 7/20 0.36
ADORA2A P29274 3/20 0.36
ADORA1 P30542 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
SCHEMBL6710681 1.00 TYMP (0.43) TYMPTRPM2TMIGD3ADORA3ADORA2A
SCHEMBL2984546 0.89 TYMP (0.37) TYMPTMIGD3ADORA3ADORA2AADORA1
SCHEMBL3824088 0.86 TYMP (0.58) TYMP
SCHEMBL3824084 0.86 TYMP (0.58) TYMP
SCHEMBL29674456 0.86 TYMP (0.58) TYMP
SCHEMBL22984001 0.86 TYMP (0.58) TYMP
SCHEMBL31556050 0.86 TYMP (0.58) TYMP
SCHEMBL29674438 0.86 TYMP (0.58) TYMP
SCHEMBL21044306 0.86 TYMP (0.58) TYMP
SCHEMBL29674530 0.86 TYMP (0.58) TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040096825-A1 METHODS AND COMPOSITIONS FOR ENHANCING DETECTION IN DETERMINATIONS EMPLOYING CLEAVABLE ELECTROPHORETIC TAG REAGENTS ACLARA BIOSCIENCES, INC. 2004-05-20 US disclosed
EP-0689610-B1 DNA SEQUENCING BY MASS SPECTROMETRY VIA EXONUCLEASE DEGRADATION SEQUENOM INC (US) 2002-07-03 EP disclosed
US-6140053-A DETERMINING A SEQUENCE OF A NUCLEIC ACID SEQUENOM, INC. (US) 2000-10-31 US disclosed
US-6074823-A RAPID, ACCURATE, AND DIRECT METHOD BY USING MULTIPLE COPIES OF TARGET NUCLEIC ACID WITH AT LEAST ONE MASS-MODIFIED NUCLEOTIDE, CLEAVING WITH EXONUCLEASE INHIBITED BY MODIFIED NUCLEOTIDE, IDENTIFYING FRAGMENTS USING MASS SPECTROMETRY SEQUENOM, INC. (US) 2000-06-13 US disclosed
US-5872003-A SYSTEM FOR DETERMINING THE SEQUENCE OF NUCLEIC ACIDS BY CLEAVING THE NUCLEIC ACID UNILATERALLY FROM A FIRST END WITH AN EXONUCLEASE ACTIVITY TO SEQUENTIALLY RELEASE INDIVIDUAL NUCLEOTIDES, IDENTIFYING EACH OF THE SEQUENTIALLY RELEASE SEQUENOM, INC. (US) 1999-02-16 US disclosed
US-5851765-A DNA sequencing by mass spectrometry via exonuclease degradation SEQUENON, INC. (US) 1998-12-22 US disclosed
WO-1997037041-A9 DNA SEQUENCING BY MASS SPECTROMETRY 1997-12-31 WO disclosed
WO-1997037041-A2 DNA SEQUENCING BY MASS SPECTROMETRY SEQUENOM, INC. (US) 1997-10-09 WO disclosed
US-5622824-A CLEAVING NUCLEIC ACID UNILATERALLY FROM FIRST END WITH EXONUCLEASE ACTIVITY TO RELEASE INDIVISUAL NUCLEOTIDES, IDENTIFYING RELEASED NUCLEOTIDES WITH MASS SPECTROSCOPY SEQUENOM, INC. (US) 1997-04-22 US disclosed
EP-0689610-A1 DNA SEQUENCING BY MASS SPECTROMETRY VIA EXONUCLEASE DEGRADATION SEQUENOM, INC. (US) 1996-01-03 EP disclosed
EP-0679196-A1 DNA SEQUENCING BY MASS SPECTROMETRY SEQUENOM, INC. (US) 1995-11-02 EP disclosed
WO-1994021822-A1 DNA SEQUENCING BY MASS SPECTROMETRY VIA EXONUCLEASE DEGRADATION SEQUENOM, INC. (US) 1994-09-29 WO disclosed
WO-1994016101-A2 DNA SEQUENCING BY MASS SPECTROMETRY KOESTER HUBERT (US) 1994-07-21 WO disclosed