SCHEMBL8920398

SCHEMBL8920398

Nc1ncnc2nc(NCCCCCC(N)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 2/20 0.39
▸ PI4K2B Q8TCG2 2/20 0.39
▸ PI4K2A Q9BTU6 2/20 0.39
▸ PI4KB Q9UBF8 2/20 0.39
▸ RIPK1 Q13546 4/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ DHFR P00374 1/20 0.33
▸ GRM8 O00222 1/20 0.33
▸ GRM4 Q14833 1/20 0.33
▸ PIK3CD O00329 2/20 0.32
▸ PIK3CA P42336 2/20 0.32
▸ PIK3CB P42338 2/20 0.32
▸ PIK3CG P48736 2/20 0.32
▸ PRKDC P78527 2/20 0.32
▸ XDH P47989 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.31

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
SCHEMBL8920386 0.85 DHFR (0.46) PI4KAPI4K2BPI4K2API4KBRIPK1
SCHEMBL8920381 0.77 DHFR (0.46) RIPK1CCNT1CDK9DHFRALDH1A1
SCHEMBL16110126 0.69 GRM8 (0.46) GRM8GRM4TDP1ALDH1A1MAPT
SCHEMBL2179783 0.69 PI4KA (0.56) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL7008629 0.68 F13A1 (0.60) RIPK1GRM8GRM4ALDH1A1MAPT
SCHEMBL2818967 0.66 GRM8 (0.51) GRM8GRM4TDP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5879422 0.65 GRM8 (0.47) GRM8GRM4TDP1ALDH1A1MAPT
SCHEMBL9755056 0.65 GRM8 (0.52) GRM8GRM4TDP1ALDH1A1MAPT
SCHEMBL21518512 0.64 GRM8 (0.63) GRM8GRM4
SCHEMBL9116030 0.64 GRM8 (0.63) GRM8GRM4

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
US-5668266-A Synthesis of single-stranded labelled oligonucleotides of preselected sequence SYNGENE, INC. (US) 1997-09-16 — — US disclosed
US-5541313-A Single-stranded labelled oligonucleotides of preselected sequence MOLECULAR BIOSYSTEMS, INC. (US) 1996-07-30 — — US 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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