SCHEMBL9780823

SCHEMBL9780823

NC[C@H]1O[C@@H](n2cc(Br)c(N)nc2=O)C[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 6/20 0.52
ADRB1 P08588 1/20 0.52
DNMT3B Q9UBC3 2/20 0.46
POLB P06746 1/20 0.41
FPR2 P25090 1/20 0.41
PNP P00491 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3A Q14432 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL9780830 1.00 DNMT1 (0.52) DNMT1ADRB1DNMT3BPOLBFPR2
SCHEMBL12731448 0.91 DNMT1 (0.63) DNMT1ADRB1DNMT3BFPR2PNP
SCHEMBL198512 0.91 DNMT1 (0.63) DNMT1ADRB1DNMT3BFPR2PNP
SCHEMBL5982335 0.91 DNMT1 (0.63) DNMT1ADRB1DNMT3BFPR2PNP
SCHEMBL197813 0.91 DNMT1 (0.63) DNMT1ADRB1DNMT3BFPR2PNP
SCHEMBL5982343 0.91 DNMT1 (0.63) DNMT1ADRB1DNMT3BFPR2PNP
SCHEMBL13480135 0.87 DNMT1 (0.47) DNMT1ADRB1DNMT3BPOLB
Phosphoric Acid SCHEMBL416601 0.87 DNMT1 (0.58) DNMT1ADRB1DNMT3BFPR2PNP
SCHEMBL3470530 0.85 POLB (0.55) POLB
SCHEMBL1635376 0.85 DNMT1 (0.52) DNMT1ADRB1DNMT3BPOLBFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0257378-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-07-03 EP disclosed
US-5010060-A Method of treating herpes simplex viral infection employing pyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1991-04-23 US disclosed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US disclosed