SCHEMBL9767445

SCHEMBL9767445

Nc1nc(Cl)c2ncn([C@@H]3CC[C@H](CO)C3)c2n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADCY5 O95622 6/20 0.49
AHCY P23526 1/20 0.46
PDE4D Q08499 2/20 0.43
NR1I2 O75469 1/20 0.43
ALB P02768 1/20 0.43
NT5E P21589 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 2/20 0.40
PNP P00491 1/20 0.40
HTT P42858 1/20 0.40
PDE3A Q14432 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL9208531 1.00 ADCY5 (0.49) ADCY5AHCYPDE4DNR1I2ALB
SCHEMBL9208537 1.00 ADCY5 (0.49) ADCY5AHCYPDE4DNR1I2ALB
SCHEMBL23358348 0.91 AHCY (0.48) ADCY5AHCYPDE4DNR1I2ALB
Hydrochloric Acid SCHEMBL23358343 0.90 AHCY (0.47) ADCY5AHCYPDE4DNR1I2ALB
SCHEMBL9310980 0.89 AHCY (0.50) ADCY5AHCYPDE4DNR1I2ALB
SCHEMBL10475246 0.89 AHCY (0.58) ADCY5AHCYPDE4DNR1I2ALB
SCHEMBL10474499 0.88 ADCY5 (0.46) ADCY5AHCYPDE4DNR1I2ALB
SCHEMBL27087643 0.87 LMNA (0.53) ADCY5PDE4DLMNATP53PNP
SCHEMBL9311466 0.86 AHCY (0.54) AHCYPDE4DNR1I2ALBNT5E
SCHEMBL29323497 0.85 ADCY5 (0.41) ADCY5PDE4DLMNATP53PNP

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
US-5049671-A Hepatitis, AIDS BURROUGHS WELLCOME CO. (US) 1991-09-17 US disclosed