SCHEMBL7601979

SCHEMBL7601979

Nc1ncnc2c1nc(NCCCCCCNC(=O)C(F)(F)F)n2[C@H]1C[C@H](O)[C@@H](COC(=O)c2ccccc2)O1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSPA2 P54652 4/20 0.46
▸ TRPM2 O94759 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ SLC28A2 O43868 3/20 0.39
▸ HSPA8 P11142 1/20 0.39
▸ ABCB1 P08183 1/20 0.38
▸ HSPA5 P11021 1/20 0.38
▸ FBP1 P09467 1/20 0.37

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
SCHEMBL7602049 0.90 HSPA2 (0.47) HSPA2TRPM2ADORA3ADORA2ASLC28A2
SCHEMBL6762581 0.76 ADORA3 (0.59) ADORA3ADORA2ASLC28A2HSPA8FBP1
SCHEMBL6762570 0.76 ADORA3 (0.59) ADORA3ADORA2ASLC28A2HSPA8FBP1
SCHEMBL10344540 0.75 DNMT1 (0.45) —
SCHEMBL6762489 0.75 ADORA3 (0.60) ADORA3ADORA2ASLC28A2HSPA8FBP1
SCHEMBL6762479 0.75 ADORA3 (0.60) ADORA3ADORA2ASLC28A2HSPA8FBP1
SCHEMBL1881041 0.74 POLB (0.52) TRPM2FBP1
SCHEMBL6763669 0.74 ADORA3 (0.61) ADORA3ADORA2ASLC28A2HSPA8FBP1
SCHEMBL6763667 0.74 ADORA3 (0.61) ADORA3ADORA2ASLC28A2HSPA8FBP1
SCHEMBL7599209 0.73 ADORA3 (0.55) ADORA3ADORA2ASLC28A2HSPA8HSPA5

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 5 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-B1 DEFINED SEQUENCE SINGLE STRAND OLIGONUCLEOTIDES INCORPORATING REPORTER GROUPS, PROCESS FOR THE CHEMICAL SYNTHESIS THEREOF, AND NUCLEOSIDES USEFUL IN SUCH SYNTHESIS SYNGENE, INC. (US) 1990-05-02 — — 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
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