SCHEMBL9780859

SCHEMBL9780859

Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3Br)O2)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 6/20 0.46
DNMT3B Q9UBC3 2/20 0.40
FPR2 P25090 1/20 0.40
ADRB1 P08588 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
SCHEMBL9780866 1.00 DNMT1 (0.46) DNMT1DNMT3BFPR2ADRB1
SCHEMBL9780644 0.92 DNMT1 (0.47) DNMT1
SCHEMBL9780633 0.92 DNMT1 (0.47) DNMT1
SCHEMBL9780845 0.83
SCHEMBL9780852 0.83
SCHEMBL9780721 0.81
SCHEMBL9780713 0.81
SCHEMBL9780830 0.78 DNMT1 (0.52) DNMT1DNMT3BFPR2ADRB1
SCHEMBL9780823 0.78 DNMT1 (0.52) DNMT1DNMT3BFPR2ADRB1
SCHEMBL9780784 0.78

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-0257378-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-07-03 EP claimed
US-4851519-A AMIDO NUCLEOSIDES, VIRICIDES HOFFMANN-LA ROCHE INC. (US) 1989-07-25 US claimed
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