SCHEMBL10528232

SCHEMBL10528232

CCCCCCCCCCCCCCCC(=O)c1nc2nc[nH]c2c(=O)[nH]1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 6/20 0.60
GDA Q9Y2T3 1/20 0.47
POLA1 P09884 1/20 0.46
PNP P00491 1/20 0.44
DAGLA Q9Y4D2 1/20 0.43
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
PDE5A O76074 1/20 0.42
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
PDE4A P27815 1/20 0.40
ADORA2A P29274 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
ADORA2B P29275 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
Stearic Acid SCHEMBL6163131 0.79 PNP (0.62) XDHGDAPOLA1PNPCDK1
SCHEMBL5352883 0.79 XDH (0.67) XDHGDAPOLA1
SCHEMBL28415480 0.76 GDA (0.61) XDHGDAPNP
SCHEMBL5347868 0.75 PNP (0.49) PNPDAGLA
SCHEMBL8535457 0.75 XDH (1.00) XDHGDAPOLA1
SCHEMBL10528227 0.75 DAGLA (0.46) DAGLA
Hydrochloric Acid SCHEMBL258899 0.74 XDH (0.97) XDHGDAPOLA1
SCHEMBL5468655 0.74 CDK1 (0.48) XDHGDAPOLA1CDK1CCNB1
SCHEMBL28863081 0.74 CDK1 (0.48) XDHGDAPOLA1CDK1CCNB1
SCHEMBL30937356 0.74 PNP (0.57) XDHGDAPNP

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
US-4880782-A 3'-AZIDO-2',3'-DIDEOXYINOSINE AND RELATED COMPOUNDS FOR AIDS MAX-PLANCK-GESELLSCHAFT ZUR FOEDERUNG DER WISSENSCHAFTEN E.V. (DE) 1989-11-14 US disclosed
EP-0332626-A1 COMPOSITIONS FOR TREATING VIRAL INFECTIONS IN HUMANS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1989-09-20 EP disclosed
EP-0286825-A2 Use of 3'-fluro-3' deoxythymidine for the manufacture of a medicament for the treatment of virus infections Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1988-10-19 EP disclosed