SCHEMBL9854224

SCHEMBL9854224

NCCCCCC(=O)C(CN)Nc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 5/20 0.45
ADRB1 P08588 1/20 0.45
POLB P06746 2/20 0.42
DNMT3B Q9UBC3 1/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
NT5E P21589 1/20 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
SCHEMBL9854228 0.86 DNMT1 (0.45) DNMT1ADRB1POLBDNMT3BLMNA
SCHEMBL7644133 0.83 DNMT1 (0.43) DNMT1ADRB1DNMT3B
SCHEMBL6376811 0.82 DNMT1 (0.51) DNMT1ADRB1POLBLMNASMN1; SMN2
SCHEMBL6376815 0.82 DNMT1 (0.51) DNMT1ADRB1POLBLMNASMN1; SMN2
SCHEMBL8010181 0.80 DNMT1 (0.53) DNMT1ADRB1POLBDNMT3BLMNA
SCHEMBL9231567 0.80 DNMT1 (0.53) DNMT1ADRB1POLBDNMT3BLMNA
SCHEMBL9353594 0.77 DNMT1 (0.55) DNMT1ADRB1POLBLMNASMN1; SMN2
SCHEMBL18054787 0.77 DNMT1 (0.59) DNMT1ADRB1POLBLMNASMN1; SMN2
SCHEMBL3890489 0.77 DNMT1 (0.59) DNMT1ADRB1POLBLMNASMN1; SMN2
SCHEMBL4625691 0.77 DNMT1 (0.59) DNMT1ADRB1POLBLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0423839-A2 Polynucleotides and probes useful in solution phase nucleic acid sandwich assay CHIRON CORPORATION (US) 1991-04-24 EP disclosed