SCHEMBL11141972

SCHEMBL11141972

Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C=CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 7/20 0.55
ADRB1 P08588 1/20 0.55
DNMT3B Q9UBC3 3/20 0.53
TK1 P04183 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
FPR2 P25090 1/20 0.44
PNP P00491 1/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3A Q14432 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL11141970 1.00 DNMT1 (0.55) DNMT1ADRB1DNMT3BTK1CYP1A2
SCHEMBL5982110 1.00 DNMT1 (0.55) DNMT1ADRB1DNMT3BTK1CYP1A2
SCHEMBL11141967 1.00 DNMT1 (0.55) DNMT1ADRB1DNMT3BTK1CYP1A2
SCHEMBL15949544 0.92 DNMT1 (0.55) DNMT1ADRB1DNMT3BTK1CYP1A2
SCHEMBL15949542 0.92 DNMT1 (0.55) DNMT1ADRB1DNMT3BTK1CYP1A2
SCHEMBL11326191 0.91 DNMT1 (0.54) DNMT1ADRB1DNMT3BTK1CYP1A2
SCHEMBL11326206 0.91 DNMT1 (0.54) DNMT1ADRB1DNMT3BTK1CYP1A2
SCHEMBL11326197 0.91 DNMT1 (0.54) DNMT1ADRB1DNMT3BTK1CYP1A2
SCHEMBL9803679 0.89 DNMT1 (0.57) DNMT1ADRB1DNMT3BTK1CYP1A2
SCHEMBL9803693 0.89 DNMT1 (0.57) DNMT1ADRB1DNMT3BTK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4382925-A VIRICIDES, ESPECIALLY AGAINST HERPES VIRUS THE UNIVERSITY OF BIRMINGHAM (GB) 1983-05-10 US claimed
US-4382925-A VIRICIDES, ESPECIALLY AGAINST HERPES VIRUS THE UNIVERSITY OF BIRMINGHAM (GB) 1983-05-10 US disclosed