SCHEMBL9310980

SCHEMBL9310980

Nc1nc(Cl)c2ncn(C3CCC(CO)C(CO)C3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHCY P23526 2/20 0.50
PDE4D Q08499 2/20 0.43
NR1I2 O75469 1/20 0.43
ALB P02768 1/20 0.43
NT5E P21589 1/20 0.41
ADCY5 O95622 4/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
PNP P00491 1/20 0.39
HTT P42858 1/20 0.39
PDE3A Q14432 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 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
SCHEMBL9311466 0.92 AHCY (0.54) AHCYPDE4DNR1I2ALBNT5E
SCHEMBL9767445 0.89 ADCY5 (0.49) AHCYPDE4DNR1I2ALBNT5E
SCHEMBL9208531 0.89 ADCY5 (0.49) AHCYPDE4DNR1I2ALBNT5E
SCHEMBL9208537 0.89 ADCY5 (0.49) AHCYPDE4DNR1I2ALBNT5E
SCHEMBL9311084 0.88 AHCY (0.65) AHCYPDE4DNR1I2ALBADCY5
SCHEMBL9470663 0.88 AHCY (0.55) AHCYPDE4DNR1I2ALBNT5E
SCHEMBL7140801 0.87 AHCY (0.52) AHCYPDE4DNR1I2ALBNT5E
SCHEMBL7097329 0.87 AHCY (0.52) AHCYPDE4DNR1I2ALBNT5E
SCHEMBL7140807 0.87 AHCY (0.52) AHCYPDE4DNR1I2ALBNT5E
SCHEMBL23358348 0.85 AHCY (0.48) AHCYPDE4DNR1I2ALBNT5E

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-5374625-A Bis/hydroxymethyl/cycloalkyl derivatives; viricides NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1994-12-20 US disclosed
EP-0468352-A2 Novel nucleic acid derivatives Nippon Kayaku Kabushiki Kaisha (JP) 1992-01-29 EP disclosed