SCHEMBL8920381

SCHEMBL8920381

Nc1ncnc2[nH]c(NCCCCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.46
▸ MAPT P10636 6/20 0.44
▸ POLB P06746 3/20 0.44
▸ PKM P14618 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PRSS1 P07477 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RIPK1 Q13546 2/20 0.43
▸ CCNT1 O60563 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ KAT2B Q92831 2/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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 0.89 DHFR (0.46) DHFRMAPTPOLBPKMKDM4E
SCHEMBL8920398 0.77 PI4KA (0.39) DHFRMAPTALDH1A1RIPK1CCNT1
SCHEMBL2228171 0.74 KAT2B (0.64) DHFRMAPTPOLBPKMKDM4E
SCHEMBL30413993 0.74 KAT2B (0.64) DHFRMAPTPOLBPKMKDM4E
SCHEMBL17923845 0.74 KAT2B (0.64) DHFRMAPTPOLBPKMKDM4E
SCHEMBL4557828 0.74 KAT2B (0.64) DHFRMAPTPOLBPKMKDM4E
SCHEMBL8147273 0.73 MAPT (0.65) MAPTPOLBPKMKDM4EPRSS1
Hydrochloric Acid SCHEMBL4699216 0.73 KAT2B (0.65) DHFRMAPTPOLBPKMKDM4E
SCHEMBL7598522 0.73 PIM1 (0.50) DHFRALDH1A1
SCHEMBL2228520 0.73 KAT2B (0.66) DHFRMAPTPOLBPKMKDM4E

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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