SCHEMBL7596995

SCHEMBL7596995

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.36
ADORA2B P29275 8/20 0.36
ADORA2A P29274 7/20 0.36
ADORA3 P0DMS8 6/20 0.36
BRD4 O60885 3/20 0.35
SLC29A1 Q99808 2/20 0.34
TMIGD3 P0DMS9 1/20 0.33
NT5E P21589 1/20 0.33

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
SCHEMBL7596991 0.93 ADORA1 (0.34) ADORA1ADORA2BADORA2AADORA3BRD4
SCHEMBL3637089 0.85 BRD4 (0.30) BRD4
SCHEMBL888001 0.78 ADORA3 (0.45) ADORA1ADORA2BADORA2AADORA3
SCHEMBL7603323 0.77 BRD4 (0.32) ADORA1ADORA2AADORA3BRD4TMIGD3
SCHEMBL6039302 0.75 SLC28A2 (0.33) ADORA2BADORA2AADORA3
SCHEMBL10344716 0.74 TMIGD3 (0.33) ADORA1ADORA2AADORA3TMIGD3
SCHEMBL7599000 0.73 TMIGD3 (0.33) ADORA1ADORA2AADORA3TMIGD3
SCHEMBL7599446 0.73 TMIGD3 (0.33) ADORA1ADORA2AADORA3TMIGD3
SCHEMBL7599663 0.72 SNCA (0.37) ADORA1ADORA3TMIGD3
SCHEMBL7599693 0.71 TYMS (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135587-B2 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE INC (US) 2002-12-18 EP disclosed
EP-0135587-A4 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1986-04-02 EP disclosed
EP-0135587-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS. MOLECULAR BIOSYSTEMS INC (US) 1985-04-03 EP disclosed
WO-1984003285-A1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS MOLECULAR BIOSYSTEMS INC (US) 1984-08-30 WO disclosed